6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C22H26N8O3S — CID 118206589

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C22H26N8O3S/c1-14(2)27-19-8-20(30-21-16(11-26-30)7-15(9-23)10-25-21)24-12-18(19)22(31)28-17-5-4-6-29(13-17)34(3,32)33/h7-8,10-12,14,17H,4-6,13H2,1-3H3,(H,24,27)(H,28,31)/t17-/m1/s1
InChIKeyMVGRLQPXSNBSCQ-QGZVFWFLSA-N
MW482.57 g/mol
LogP1.66
Rot. Bonds6

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206589) has the molecular formula C22H26N8O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206589
Molecular FormulaC22H26N8O3S
Molecular Weight482.57 g/mol
Exact Mass482.18
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C22H26N8O3S/c1-14(2)27-19-8-20(30-21-16(11-26-30)7-15(9-23)10-25-21)24-12-18(19)22(31)28-17-5-4-6-29(13-17)34(3,32)33/h7-8,10-12,14,17H,4-6,13H2,1-3H3,(H,24,27)(H,28,31)/t17-/m1/s1
InChIKeyMVGRLQPXSNBSCQ-QGZVFWFLSA-N
XLogP1.66
TPSA145.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206967
5-cyano-1-[5-[2-[4-[methylsulfonylmethyl(sulfino)amino]phenyl]ethylcarbamoyl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine
CID 118206965
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-(propan-2-ylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 118206907
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206892
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206058
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-fluoro-3-(4-methylsulfanylpiperazin-1-yl)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 144881727
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)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206812
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
1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 138727745
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(4-pyridin-4-ylcyclohex-3-en-1-yl)pyridine-3-carboxamide
CID 118206545

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206589) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is MVGRLQPXSNBSCQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N8O3S/c1-14(2)27-19-8-20(30-21-16(11-26-30)7-15(9-23)10-25-21)24-12-18(19)22(31)28-17-5-4-6-29(13-17)34(3,32)33/h7-8,10-12,14,17H,4-6,13H2,1-3H3,(H,24,27)(H,28,31)/t17-/m1/s1.
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).