6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol

C24H25ClN8O3 — CID 142329913

IUPAC6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol
SMILESCO.COc1c(Cl)cccc1Nc1cc(Nc2ccc(N3CCCC3)c(C#N)n2)nc2[nH][nH]c(=O)c12
InChIInChI=1S/C23H21ClN8O2.CH4O/c1-34-21-13(24)5-4-6-14(21)26-15-11-19(29-22-20(15)23(33)31-30-22)28-18-8-7-17(16(12-25)27-18)32-9-2-3-10-32;1-2/h4-8,11H,2-3,9-10H2,1H3,(H4,26,27,28,29,30,31,33);2H,1H3
InChIKeyAJYFKNASKKYGNJ-UHFFFAOYSA-N
MW508.97 g/mol
LogP3.88
Rot. Bonds6

About 6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol

6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol (PubChem CID 142329913) has the molecular formula C24H25ClN8O3 and a molecular weight of 508.97 g/mol. Its IUPAC name is 6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol.

Molecular Properties

Compound Name6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol
PubChem CID142329913
Molecular FormulaC24H25ClN8O3
Molecular Weight508.97 g/mol
Exact Mass508.17
IUPAC Name6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol
SMILESCO.COc1c(Cl)cccc1Nc1cc(Nc2ccc(N3CCCC3)c(C#N)n2)nc2[nH][nH]c(=O)c12
InChIInChI=1S/C23H21ClN8O2.CH4O/c1-34-21-13(24)5-4-6-14(21)26-15-11-19(29-22-20(15)23(33)31-30-22)28-18-8-7-17(16(12-25)27-18)32-9-2-3-10-32;1-2/h4-8,11H,2-3,9-10H2,1H3,(H4,26,27,28,29,30,31,33);2H,1H3
InChIKeyAJYFKNASKKYGNJ-UHFFFAOYSA-N
XLogP3.88
TPSA154.98 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.97
LogP ≤ 53.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol with MolForge

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Related Compounds

2-methoxy-3-[[2-methyl-3-oxo-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]benzonitrile
CID 134438947
6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 134456564
3-(2-hydroxypyrrolidin-1-yl)-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455288
N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134438999
3-chloro-2-methoxy-N-phenylaniline
CID 171920172
6-[[4-[3-(2,3-dimethyl-1H-tetrazol-5-yl)-2-methoxyanilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyridine-2-carbonitrile
CID 166647439
2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 166647486
N-[2-[[6-(6,7-dihydro-5H-cyclopenta[b]pyrazin-3-ylamino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide
CID 163817405
4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438526
N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide
CID 166647465
6-[[4-(3-chloro-2-methoxyanilino)-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]-3-ethylpyrazine-2-carbonitrile
CID 146047393
N-[4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134438611

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol?
The IUPAC name of 6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol (CID 142329913) is 6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol.
What is the SMILES notation for 6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol?
The canonical SMILES for 6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol is CO.COc1c(Cl)cccc1Nc1cc(Nc2ccc(N3CCCC3)c(C#N)n2)nc2[nH][nH]c(=O)c12.
What is the InChIKey of 6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol?
The InChIKey is AJYFKNASKKYGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN8O2.CH4O/c1-34-21-13(24)5-4-6-14(21)26-15-11-19(29-22-20(15)23(33)31-30-22)28-18-8-7-17(16(12-25)27-18)32-9-2-3-10-32;1-2/h4-8,11H,2-3,9-10H2,1H3,(H4,26,27,28,29,30,31,33);2H,1H3.
What are the key properties of 6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol?
6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol has a molecular weight of 508.97 g/mol, XLogP of 3.88, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3-chloro-2-methoxyanilino)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]amino]-3-pyrrolidin-1-ylpyridine-2-carbonitrile;methanol is sourced from PubChem (CID 142329913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).