1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C24H26FN9 — CID 145219191

IUPAC1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)CCc1cn(-c2cnc(-n3ncc4cc(C#N)cnc43)cc2N[C@H]2CC[C@@H](F)C2)nn1
InChIInChI=1S/C24H26FN9/c1-15(2)3-5-20-14-33(32-31-20)22-13-27-23(9-21(22)30-19-6-4-18(25)8-19)34-24-17(12-29-34)7-16(10-26)11-28-24/h7,9,11-15,18-19H,3-6,8H2,1-2H3,(H,27,30)/t18-,19+/m1/s1
InChIKeyFKFVBJJYJKOLGH-MOPGFXCFSA-N
MW459.53 g/mol
LogP4.16
Rot. Bonds7

About 1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 145219191) has the molecular formula C24H26FN9 and a molecular weight of 459.53 g/mol. Its IUPAC name is 1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID145219191
Molecular FormulaC24H26FN9
Molecular Weight459.53 g/mol
Exact Mass459.23
IUPAC Name1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)CCc1cn(-c2cnc(-n3ncc4cc(C#N)cnc43)cc2N[C@H]2CC[C@@H](F)C2)nn1
InChIInChI=1S/C24H26FN9/c1-15(2)3-5-20-14-33(32-31-20)22-13-27-23(9-21(22)30-19-6-4-18(25)8-19)34-24-17(12-29-34)7-16(10-26)11-28-24/h7,9,11-15,18-19H,3-6,8H2,1-2H3,(H,27,30)/t18-,19+/m1/s1
InChIKeyFKFVBJJYJKOLGH-MOPGFXCFSA-N
XLogP4.16
TPSA110.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[5-[4-(2-isocyanoethyl)triazol-1-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 140883104
1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 170737635
1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 138727745
methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate
CID 135195588
acetic acid;1-[4-(cyclopentylamino)-5-[4-[4-(hydroxymethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 174174938
tert-butyl 4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]piperidine-1-carboxylate
CID 135185369
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 123641912
1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406471
1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 170737835
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
CID 163400340
4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206491
1-[4-(cyclopropylamino)-5-[4-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406678

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 145219191) is 1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is CC(C)CCc1cn(-c2cnc(-n3ncc4cc(C#N)cnc43)cc2N[C@H]2CC[C@@H](F)C2)nn1.
What is the InChIKey of 1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is FKFVBJJYJKOLGH-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H26FN9/c1-15(2)3-5-20-14-33(32-31-20)22-13-27-23(9-21(22)30-19-6-4-18(25)8-19)34-24-17(12-29-34)7-16(10-26)11-28-24/h7,9,11-15,18-19H,3-6,8H2,1-2H3,(H,27,30)/t18-,19+/m1/s1.
What are the key properties of 1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 459.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 145219191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).