1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one

C22H27N5O — CID 137121909

IUPAC1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCC1NCc2cc(Nc3nn(C4CCCCC4C)c4cc[nH]c(=O)c34)ccc21
InChIInChI=1S/C22H27N5O/c1-13-5-3-4-6-18(13)27-19-9-10-23-22(28)20(19)21(26-27)25-16-7-8-17-14(2)24-12-15(17)11-16/h7-11,13-14,18,24H,3-6,12H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyDBKMWIMSUVUHMW-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.38
Rot. Bonds3

About 1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one

1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 137121909) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID137121909
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCC1NCc2cc(Nc3nn(C4CCCCC4C)c4cc[nH]c(=O)c34)ccc21
InChIInChI=1S/C22H27N5O/c1-13-5-3-4-6-18(13)27-19-9-10-23-22(28)20(19)21(26-27)25-16-7-8-17-14(2)24-12-15(17)11-16/h7-11,13-14,18,24H,3-6,12H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyDBKMWIMSUVUHMW-UHFFFAOYSA-N
XLogP4.38
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S,2S)-2-methylcyclopentyl]-3-[4-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137217632
3-(4-chloroanilino)-1-(2-methyl-4-oxocyclohexyl)-5H-pyrazolo[4,3-c]pyridin-4-one;formonitrile
CID 144713174
2-[3-[(2,3-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 137089791
2-[3-[(1,1-dihydroxy-2,3-dimethyl-3H-1,2-benzothiazol-5-yl)amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 137089792
3-[(2-tert-butyl-1-oxo-3H-1,2-benzothiazol-5-yl)amino]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137282142
2-[3-[(2-acetyl-1,3-dihydroisoindol-5-yl)amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 137060932
3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137217642
5-[[1-[(1S,2S)-2-cyanocyclohexyl]-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 136950728
(2S)-2-[3-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 137217750
cis-(1S,2S)-2-[3-[[2-(4,4-difluoro-1-methylcyclohexyl)-1,1-dihydroxy-3H-1,2-benzothiazol-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 137089734
cis-(1S,2S)-2-[3-[[2-(cyclopropylmethyl)-1,1-dioxo-3H-1,2-benzothiazol-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 136950712
(2S)-2-[3-[[2-(2-hydroxyethyl)-1,1-dioxo-3H-1,2-benzothiazol-5-yl]amino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 137217771

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one (CID 137121909) is 1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one is CC1NCc2cc(Nc3nn(C4CCCCC4C)c4cc[nH]c(=O)c34)ccc21.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is DBKMWIMSUVUHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-13-5-3-4-6-18(13)27-19-9-10-23-22(28)20(19)21(26-27)25-16-7-8-17-14(2)24-12-15(17)11-16/h7-11,13-14,18,24H,3-6,12H2,1-2H3,(H,23,28)(H,25,26).
What are the key properties of 1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one?
1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 377.49 g/mol, XLogP of 4.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137121909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).