3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile

C23H20F2N10 — CID 170646298

IUPAC3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile
SMILESN#Cc1cnc2c(c1)ncn2[C@@H]1CCC[C@H](Nc2ncc(C#N)c(-c3cnn(CC(F)F)c3)n2)C1
InChIInChI=1S/C23H20F2N10/c24-20(25)12-34-11-16(10-31-34)21-15(7-27)9-29-23(33-21)32-17-2-1-3-18(5-17)35-13-30-19-4-14(6-26)8-28-22(19)35/h4,8-11,13,17-18,20H,1-3,5,12H2,(H,29,32,33)/t17-,18+/m0/s1
InChIKeyYQCFBWLXNKEACR-ZWKOTPCHSA-N
MW474.48 g/mol
LogP3.69
Rot. Bonds6

About 3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile

3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 170646298) has the molecular formula C23H20F2N10 and a molecular weight of 474.48 g/mol. Its IUPAC name is 3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID170646298
Molecular FormulaC23H20F2N10
Molecular Weight474.48 g/mol
Exact Mass474.18
IUPAC Name3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile
SMILESN#Cc1cnc2c(c1)ncn2[C@@H]1CCC[C@H](Nc2ncc(C#N)c(-c3cnn(CC(F)F)c3)n2)C1
InChIInChI=1S/C23H20F2N10/c24-20(25)12-34-11-16(10-31-34)21-15(7-27)9-29-23(33-21)32-17-2-1-3-18(5-17)35-13-30-19-4-14(6-26)8-28-22(19)35/h4,8-11,13,17-18,20H,1-3,5,12H2,(H,29,32,33)/t17-,18+/m0/s1
InChIKeyYQCFBWLXNKEACR-ZWKOTPCHSA-N
XLogP3.69
TPSA133.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile with MolForge

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Related Compounds

3-[(1S,3R)-3-[[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]imidazo[4,5-b]pyridine-6-carbonitrile
CID 170646283
2-[[(1R,3S)-3-(7-bromo-6-chloroimidazo[4,5-c]pyridin-1-yl)cyclohexyl]amino]-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile
CID 170646247
4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)-N-[(1R,3S)-3-[6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]cyclohexyl]pyrimidin-2-amine
CID 170646270
3-[3-[[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]-6-(trifluoromethyl)benzimidazole-4-carbonitrile
CID 178184826
4-chloro-2-[[(1R,3S)-3-imidazo[4,5-b]pyridin-3-ylcyclohexyl]amino]pyrimidine-5-carbonitrile
CID 170646204
2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile
CID 158219239
N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112703192
3,5-difluoro-4-[[2-[[(1R)-3-hydroxycyclohexyl]amino]-9-methylpurin-8-yl]amino]benzonitrile
CID 146587084
4-[1-(2-chloro-4-formylphenyl)pyrazol-4-yl]-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carbonitrile
CID 155688622
2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile
CID 77147194
4-[8-(4-cyano-2,6-difluoroanilino)-2-[[(1R)-3-hydroxycyclohexyl]amino]purin-9-yl]cyclohexane-1-carboxamide
CID 146587083
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile
CID 65472964

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile (CID 170646298) is 3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile is N#Cc1cnc2c(c1)ncn2[C@@H]1CCC[C@H](Nc2ncc(C#N)c(-c3cnn(CC(F)F)c3)n2)C1.
What is the InChIKey of 3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is YQCFBWLXNKEACR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H20F2N10/c24-20(25)12-34-11-16(10-31-34)21-15(7-27)9-29-23(33-21)32-17-2-1-3-18(5-17)35-13-30-19-4-14(6-26)8-28-22(19)35/h4,8-11,13,17-18,20H,1-3,5,12H2,(H,29,32,33)/t17-,18+/m0/s1.
What are the key properties of 3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile?
3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 474.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3S)-3-[[5-cyano-4-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 170646298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).