6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one

C18H19N7O — CID 146298917

IUPAC6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one
SMILESCN(C)c1[nH]c(=O)c(-c2ccn(C)n2)cc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C18H19N7O/c1-24(2)17-15(21-13-5-8-20-16-11(13)4-7-19-16)10-12(18(26)22-17)14-6-9-25(3)23-14/h4-10H,1-3H3,(H,22,26)(H2,19,20,21)
InChIKeyPQTXIBGBGIKMJL-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.46
Rot. Bonds4

About 6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one

6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one (PubChem CID 146298917) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one
PubChem CID146298917
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one
SMILESCN(C)c1[nH]c(=O)c(-c2ccn(C)n2)cc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C18H19N7O/c1-24(2)17-15(21-13-5-8-20-16-11(13)4-7-19-16)10-12(18(26)22-17)14-6-9-25(3)23-14/h4-10H,1-3H3,(H,22,26)(H2,19,20,21)
InChIKeyPQTXIBGBGIKMJL-UHFFFAOYSA-N
XLogP2.46
TPSA94.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168277
1-N-methyl-4-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine
CID 143384741
6-(dimethylamino)-5-[[3-ethenyl-2-(methylamino)-4-pyridinyl]amino]-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one
CID 153392170
3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
CID 146299047
N-(3-nitrosophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 143384635
5-(5-fluoro-6-methyl-2-pyridinyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 162371575
1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazole-3-carboxylic acid
CID 122558338
3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)benzoic acid
CID 58086793
2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine
CID 131801139
4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166375892
N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 67959432
N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 66958088

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one?
The IUPAC name of 6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one (CID 146298917) is 6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one.
What is the SMILES notation for 6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one?
The canonical SMILES for 6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one is CN(C)c1[nH]c(=O)c(-c2ccn(C)n2)cc1Nc1ccnc2[nH]ccc12.
What is the InChIKey of 6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one?
The InChIKey is PQTXIBGBGIKMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-24(2)17-15(21-13-5-8-20-16-11(13)4-7-19-16)10-12(18(26)22-17)14-6-9-25(3)23-14/h4-10H,1-3H3,(H,22,26)(H2,19,20,21).
What are the key properties of 6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one?
6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one has a molecular weight of 349.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one is sourced from PubChem (CID 146298917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).