6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

C24H28FN7O2 — CID 123641912

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCC(F)CC1
InChIInChI=1S/C24H28FN7O2/c1-24(2,34)7-8-27-23(33)19-14-28-21(10-20(19)31-18-5-3-17(25)4-6-18)32-22-16(13-30-32)9-15(11-26)12-29-22/h9-10,12-14,17-18,34H,3-8H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyQPPDAJVTGPECIB-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.27
Rot. Bonds7

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 123641912) has the molecular formula C24H28FN7O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
PubChem CID123641912
Molecular FormulaC24H28FN7O2
Molecular Weight465.53 g/mol
Exact Mass465.23
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCC(F)CC1
InChIInChI=1S/C24H28FN7O2/c1-24(2,34)7-8-27-23(33)19-14-28-21(10-20(19)31-18-5-3-17(25)4-6-18)32-22-16(13-30-32)9-15(11-26)12-29-22/h9-10,12-14,17-18,34H,3-8H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyQPPDAJVTGPECIB-UHFFFAOYSA-N
XLogP3.27
TPSA128.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
CID 163400340
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118207022
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]amino]pyridine-3-carboxamide
CID 118205999
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 118206137
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide
CID 118206683
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide
CID 118206604
methyl 2-[2-[2-[4-[[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)pyridine-3-carbonyl]amino]-3-fluorobutan-2-yl]oxyethoxy]ethoxy]acetate
CID 138696630
4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide
CID 118206569
6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206743
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206088
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118206091

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 123641912) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(C)(O)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCC(F)CC1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is QPPDAJVTGPECIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O2/c1-24(2,34)7-8-27-23(33)19-14-28-21(10-20(19)31-18-5-3-17(25)4-6-18)32-22-16(13-30-32)9-15(11-26)12-29-22/h9-10,12-14,17-18,34H,3-8H2,1-2H3,(H,27,33)(H,28,31).
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 123641912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).