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

C24H26FN9O — CID 135185352

IUPAC1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)(O)CCc1cn(-c2cnc(-n3ncc4cc(C#N)cnc43)cc2N[C@@H]2CCC[C@@H]2F)nn1
InChIInChI=1S/C24H26FN9O/c1-24(2,35)7-6-17-14-33(32-31-17)21-13-27-22(9-20(21)30-19-5-3-4-18(19)25)34-23-16(12-29-34)8-15(10-26)11-28-23/h8-9,11-14,18-19,35H,3-7H2,1-2H3,(H,27,30)/t18-,19+/m0/s1
InChIKeyNMOSEHMHSMKNCM-RBUKOAKNSA-N
MW475.53 g/mol
LogP3.27
Rot. Bonds7

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

1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135185352) has the molecular formula C24H26FN9O and a molecular weight of 475.53 g/mol. Its IUPAC name is 1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135185352
Molecular FormulaC24H26FN9O
Molecular Weight475.53 g/mol
Exact Mass475.22
IUPAC Name1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)(O)CCc1cn(-c2cnc(-n3ncc4cc(C#N)cnc43)cc2N[C@@H]2CCC[C@@H]2F)nn1
InChIInChI=1S/C24H26FN9O/c1-24(2,35)7-6-17-14-33(32-31-17)21-13-27-22(9-20(21)30-19-5-3-4-18(19)25)34-23-16(12-29-34)8-15(10-26)11-28-23/h8-9,11-14,18-19,35H,3-7H2,1-2H3,(H,27,30)/t18-,19+/m0/s1
InChIKeyNMOSEHMHSMKNCM-RBUKOAKNSA-N
XLogP3.27
TPSA130.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
CID 89720345
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolo[3,2-b]pyridin-6-yl]acetamide
CID 70684312
2-[[3-cyano-1-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]indazol-5-yl]amino]-4-(ethylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 89931476
2-[[3-cyano-1-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]indazol-5-yl]amino]-4-(ethylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 89931477
US10336761, Example 240
CID 126484380
1-(4-(3-(6-(((3S,4S)-4-fluoropyrrolidin-3-yl)-amino)pyridin-2-yl)-imidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 166961571
[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 169074463
3-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 72375241
3-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 72375242
3-[1-(3-fluorophenyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 72375345
4-[4-[6-[(1-Methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrazol-1-yl]benzonitrile
CID 72375558
3-[4-[6-[(1-Methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrazol-1-yl]benzonitrile
CID 72375559

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135185352) is 1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is CC(C)(O)CCc1cn(-c2cnc(-n3ncc4cc(C#N)cnc43)cc2N[C@@H]2CCC[C@@H]2F)nn1.
What is the InChIKey of 1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is NMOSEHMHSMKNCM-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H26FN9O/c1-24(2,35)7-6-17-14-33(32-31-17)21-13-27-22(9-20(21)30-19-5-3-4-18(19)25)34-23-16(12-29-34)8-15(10-26)11-28-23/h8-9,11-14,18-19,35H,3-7H2,1-2H3,(H,27,30)/t18-,19+/m0/s1.
What are the key properties of 1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 475.53 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R,2S)-2-fluorocyclopentyl]amino]-5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135185352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).