6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide

C23H27N7O — CID 163400340

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
SMILESCCCC(CCC)NC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CC1
InChIInChI=1S/C23H27N7O/c1-3-5-17(6-4-2)29-23(31)19-14-25-21(10-20(19)28-18-7-8-18)30-22-16(13-27-30)9-15(11-24)12-26-22/h9-10,12-14,17-18H,3-8H2,1-2H3,(H,25,28)(H,29,31)
InChIKeyHMCPGFSVECETEK-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.96
Rot. Bonds9

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide (PubChem CID 163400340) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
PubChem CID163400340
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
SMILESCCCC(CCC)NC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CC1
InChIInChI=1S/C23H27N7O/c1-3-5-17(6-4-2)29-23(31)19-14-25-21(10-20(19)28-18-7-8-18)30-22-16(13-27-30)9-15(11-24)12-26-22/h9-10,12-14,17-18H,3-8H2,1-2H3,(H,25,28)(H,29,31)
InChIKeyHMCPGFSVECETEK-UHFFFAOYSA-N
XLogP3.96
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide with MolForge

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Related Compounds

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 123641912
1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 138727745
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-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118207022
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
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)-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-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]amino]pyridine-3-carboxamide
CID 118205999
1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406471
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206589
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206647
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(methylamino)pyridine-3-carboxamide
CID 171407015

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide (CID 163400340) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide is CCCC(CCC)NC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CC1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide?
The InChIKey is HMCPGFSVECETEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-3-5-17(6-4-2)29-23(31)19-14-25-21(10-20(19)28-18-7-8-18)30-22-16(13-27-30)9-15(11-24)12-26-22/h9-10,12-14,17-18H,3-8H2,1-2H3,(H,25,28)(H,29,31).
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 163400340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).