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

C20H24N6O — CID 121373253

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

1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373253) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 121373253
• Molecular Formula: C20H24N6O
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.20
• IUPAC Name: 1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3ccc(C4=CNC(N)C=C4)cc3)nn2C)C1
• InChI: InChI=1S/C20H24N6O/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/h3-8,11,19,22H,9-10,12,21H2,1-2H3,(H,23,24)
• InChIKey: LJTCBBYGFKFFMD-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 88.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373253) is 1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(C4=CNC(N)C=C4)cc3)nn2C)C1.

What is the InChIKey of 1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is LJTCBBYGFKFFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/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/h3-8,11,19,22H,9-10,12,21H2,1-2H3,(H,23,24).

What are the key properties of 1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(2-amino-1,2-dihydropyridin-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).