1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C19H22N6O — CID 121365515

IUPAC1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4ccn(C)n4)cc3)nn2C)C1
InChIInChI=1S/C19H22N6O/c1-13(26)25-11-9-18-16(12-25)19(22-24(18)3)20-15-6-4-14(5-7-15)17-8-10-23(2)21-17/h4-8,10H,9,11-12H2,1-3H3,(H,20,22)
InChIKeySTCRPPIWTJYFNV-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.47
Rot. Bonds3

About 1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121365515) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121365515
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4ccn(C)n4)cc3)nn2C)C1
InChIInChI=1S/C19H22N6O/c1-13(26)25-11-9-18-16(12-25)19(22-24(18)3)20-15-6-4-14(5-7-15)17-8-10-23(2)21-17/h4-8,10H,9,11-12H2,1-3H3,(H,20,22)
InChIKeySTCRPPIWTJYFNV-UHFFFAOYSA-N
XLogP2.47
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121365515) is 1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4ccn(C)n4)cc3)nn2C)C1.
What is the InChIKey of 1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is STCRPPIWTJYFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(26)25-11-9-18-16(12-25)19(22-24(18)3)20-15-6-4-14(5-7-15)17-8-10-23(2)21-17/h4-8,10H,9,11-12H2,1-3H3,(H,20,22).
What are the key properties of 1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 350.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121365515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).