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Summary Geometry Related PDB entries

FZ9

Summary

Name:	4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine
Formula:	C18 H16 N6
Formal charge:	0
Formula weight:	316.36 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine
OpenEye OEToolkits	1.7.6	4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(c2c(nc1)nnc2)N5CC=C(c4c3ccccc3nc4)CC5
InChI	InChI	1.03	InChI=1S/C18H16N6/c1-2-4-16-13(3-1)14(9-19-16)12-5-7-24(8-6-12)18-15-10-22-23-17(15)20-11-21-18/h1-5,9-11,19H,6-8H2,(H,20,21,22,23)
InChIKey	InChI	1.03	QOXYIHCPHZOWJH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	C1CC(=CCN1c2ncnc3[nH]ncc23)c4c[nH]c5ccccc45
SMILES	CACTVS	3.385	C1CC(=CCN1c2ncnc3[nH]ncc23)c4c[nH]c5ccccc45
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4

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