1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C19H24N6O — CID 145105932

IUPAC1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(NC3C=CC(c4ccn(C)n4)=CC3)nn2C)C1
InChIInChI=1S/C19H24N6O/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/h4-6,8,10,15H,7,9,11-12H2,1-3H3,(H,20,22)
InChIKeyIFFUBBJIJLQXNY-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.88
Rot. Bonds3

About 1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 145105932) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID145105932
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(NC3C=CC(c4ccn(C)n4)=CC3)nn2C)C1
InChIInChI=1S/C19H24N6O/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/h4-6,8,10,15H,7,9,11-12H2,1-3H3,(H,20,22)
InChIKeyIFFUBBJIJLQXNY-UHFFFAOYSA-N
XLogP1.88
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-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)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 145105932) is 1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-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)cyclohexa-2,4-dien-1-yl]amino]-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)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(NC3C=CC(c4ccn(C)n4)=CC3)nn2C)C1.
What is the InChIKey of 1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is IFFUBBJIJLQXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/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/h4-6,8,10,15H,7,9,11-12H2,1-3H3,(H,20,22).
What are the key properties of 1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-methyl-3-[[4-(1-methylpyrazol-3-yl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 352.44 g/mol, XLogP of 1.88, 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)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 145105932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).