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Summary

Name:	N-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide
Formula:	C22 H19 F N6 O
Formal charge:	0
Formula weight:	402.424 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[[(3~{S})-2-(3-fluoranylpyrazin-2-yl)-3,4-dihydro-1~{H}-isoquinolin-3-yl]methyl]-1~{H}-indazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1nccnc1N1Cc2ccccc2CC1CNC(=O)c1cccc2[NH]ncc12
InChI	InChI	1.06	InChI=1S/C22H19FN6O/c23-20-21(25-9-8-24-20)29-13-15-5-2-1-4-14(15)10-16(29)11-26-22(30)17-6-3-7-19-18(17)12-27-28-19/h1-9,12,16H,10-11,13H2,(H,26,30)(H,27,28)/t16-/m0/s1
InChIKey	InChI	1.06	GTHUQRDNWWDGLW-INIZCTEOSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1nccnc1N2Cc3ccccc3C[C@H]2CNC(=O)c4cccc5[nH]ncc45
SMILES	CACTVS	3.385	Fc1nccnc1N2Cc3ccccc3C[CH]2CNC(=O)c4cccc5[nH]ncc45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C[C@H](N(C2)c3c(nccn3)F)CNC(=O)c4cccc5c4cn[nH]5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CC(N(C2)c3c(nccn3)F)CNC(=O)c4cccc5c4cn[nH]5

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