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Summary

Name:	N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
Formula:	C19 H17 F2 N7
Formal charge:	0
Formula weight:	381.382 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-[(2-aminopyrimidin-5-yl)methyl]-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
OpenEye OEToolkits	1.5.0	N-[(2-aminopyrimidin-5-yl)methyl]-5-(2,6-difluorophenyl)-3-ethyl-pyrazolo[5,1-b]pyrimidin-7-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc4cccc(F)c4c1nc3c(cnn3c(c1)NCc2cnc(nc2)N)CC
SMILES_CANONICAL	CACTVS	3.341	CCc1cnn2c(NCc3cnc(N)nc3)cc(nc12)c4c(F)cccc4F
SMILES	CACTVS	3.341	CCc1cnn2c(NCc3cnc(N)nc3)cc(nc12)c4c(F)cccc4F
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F
SMILES	OpenEye OEToolkits	1.5.0	CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F
InChI	InChI	1.03	InChI=1S/C19H17F2N7/c1-2-12-10-26-28-16(23-7-11-8-24-19(22)25-9-11)6-15(27-18(12)28)17-13(20)4-3-5-14(17)21/h3-6,8-10,23H,2,7H2,1H3,(H2,22,24,25)
InChIKey	InChI	1.03	HQPVGVSQPQVZLD-UHFFFAOYSA-N

226262

数据于2024-10-16公开中

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