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

C20H22N6O — CID 121373215

IUPAC1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4ccc(N)nc4)cc3)nn2C)C1
InChIInChI=1S/C20H22N6O/c1-13(27)26-10-9-18-17(12-26)20(24-25(18)2)23-16-6-3-14(4-7-16)15-5-8-19(21)22-11-15/h3-8,11H,9-10,12H2,1-2H3,(H2,21,22)(H,23,24)
InChIKeyMHLYKCLCUQKRIA-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.71
Rot. Bonds3

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

1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373215) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373215
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4ccc(N)nc4)cc3)nn2C)C1
InChIInChI=1S/C20H22N6O/c1-13(27)26-10-9-18-17(12-26)20(24-25(18)2)23-16-6-3-14(4-7-16)15-5-8-19(21)22-11-15/h3-8,11H,9-10,12H2,1-2H3,(H2,21,22)(H,23,24)
InChIKeyMHLYKCLCUQKRIA-UHFFFAOYSA-N
XLogP2.71
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373215) is 1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4ccc(N)nc4)cc3)nn2C)C1.
What is the InChIKey of 1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is MHLYKCLCUQKRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13(27)26-10-9-18-17(12-26)20(24-25(18)2)23-16-6-3-14(4-7-16)15-5-8-19(21)22-11-15/h3-8,11H,9-10,12H2,1-2H3,(H2,21,22)(H,23,24).
What are the key properties of 1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 362.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).