3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride

C23H28Cl2N4O — CID 119858447

About 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride

3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride (PubChem CID 119858447) has the molecular formula C23H28Cl2N4O and a molecular weight of 447.41 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride.

Molecular Properties

• Compound Name: 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride
• PubChem CID: 119858447
• Molecular Formula: C23H28Cl2N4O
• Molecular Weight: 447.41 g/mol
• Exact Mass: 446.16
• IUPAC Name: 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride
• SMILES: CC(C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)C(N)c1ccccc1.Cl.Cl
• InChI: InChI=1S/C23H26N4O.2ClH/c1-16(21(24)17-7-3-2-4-8-17)23(28)26-19-12-10-18(11-13-19)22-25-15-20-9-5-6-14-27(20)22;;/h2-4,7-8,10-13,15-16,21H,5-6,9,14,24H2,1H3,(H,26,28);2*1H
• InChIKey: QADYJCIWVLHZHH-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 72.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.41
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride?

The IUPAC name of 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride (CID 119858447) is 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride.

What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride?

The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride is CC(C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)C(N)c1ccccc1.Cl.Cl.

What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride?

The InChIKey is QADYJCIWVLHZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O.2ClH/c1-16(21(24)17-7-3-2-4-8-17)23(28)26-19-12-10-18(11-13-19)22-25-15-20-9-5-6-14-27(20)22;;/h2-4,7-8,10-13,15-16,21H,5-6,9,14,24H2,1H3,(H,26,28);2*1H.

What are the key properties of 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride?

3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride has a molecular weight of 447.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-methyl-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119858447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).