1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile

C27H24N6O2 — CID 175870662

IUPAC1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile
SMILESCOc1cc2[nH]nc(-c3ccc(C4CC(=O)N(C)C4)nc3)c2nc1C1(C#N)CCc2ccccc21
InChIInChI=1S/C27H24N6O2/c1-33-14-18(11-23(33)34)20-8-7-17(13-29-20)24-25-21(31-32-24)12-22(35-2)26(30-25)27(15-28)10-9-16-5-3-4-6-19(16)27/h3-8,12-13,18H,9-11,14H2,1-2H3,(H,31,32)
InChIKeyJVAQKESMHIBSIL-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.73
Rot. Bonds4

About 1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile

1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile (PubChem CID 175870662) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile
PubChem CID175870662
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile
SMILESCOc1cc2[nH]nc(-c3ccc(C4CC(=O)N(C)C4)nc3)c2nc1C1(C#N)CCc2ccccc21
InChIInChI=1S/C27H24N6O2/c1-33-14-18(11-23(33)34)20-8-7-17(13-29-20)24-25-21(31-32-24)12-22(35-2)26(30-25)27(15-28)10-9-16-5-3-4-6-19(16)27/h3-8,12-13,18H,9-11,14H2,1-2H3,(H,31,32)
InChIKeyJVAQKESMHIBSIL-UHFFFAOYSA-N
XLogP3.73
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile with MolForge

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Related Compounds

2-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-1-[(3R)-4-methylmorpholine-3-carbonyl]pyrrolidine-3-carbonitrile
CID 175789453
4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one
CID 155484485
1-[5-[5-(2,3-dimethylphenyl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]cyclohexane-1-carboxylic acid
CID 175870668
[3-[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]pyrrolidin-1-yl]-(4-methylmorpholin-3-yl)methanone
CID 161414091
1-[[5-[5-(2,3-dihydro-1H-inden-4-yl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 175789450
3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine
CID 134326602
[(7R,8aS)-2-[5-[5-(2,3-dimethylphenyl)-6-methoxy-1H-pyrazolo[4,3-b]pyridin-3-yl]-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl] methanesulfonate
CID 168814992
5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
CID 76847130
3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973532
methyl 4-[3-(6-fluoro-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3,5-dimethylpiperazine-1-carboxylate
CID 146514277
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
CID 154196757

Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile (CID 175870662) is 1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile is COc1cc2[nH]nc(-c3ccc(C4CC(=O)N(C)C4)nc3)c2nc1C1(C#N)CCc2ccccc21.
What is the InChIKey of 1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile?
The InChIKey is JVAQKESMHIBSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-33-14-18(11-23(33)34)20-8-7-17(13-29-20)24-25-21(31-32-24)12-22(35-2)26(30-25)27(15-28)10-9-16-5-3-4-6-19(16)27/h3-8,12-13,18H,9-11,14H2,1-2H3,(H,31,32).
What are the key properties of 1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile?
1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile has a molecular weight of 464.53 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 175870662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).