N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

C25H29N5O2 — CID 55636749

About N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (PubChem CID 55636749) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
• PubChem CID: 55636749
• Molecular Formula: C25H29N5O2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.23
• IUPAC Name: N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
• SMILES: O=C(NCc1ccnc(N2CCOCC2)c1)c1nc(-c2ccccc2)n2c1CCCCC2
• InChI: InChI=1S/C25H29N5O2/c31-25(27-18-19-10-11-26-22(17-19)29-13-15-32-16-14-29)23-21-9-5-2-6-12-30(21)24(28-23)20-7-3-1-4-8-20/h1,3-4,7-8,10-11,17H,2,5-6,9,12-16,18H2,(H,27,31)
• InChIKey: WNNIKQZWBROHKO-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

The IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (CID 55636749) is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

What is the SMILES notation for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

The canonical SMILES for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is O=C(NCc1ccnc(N2CCOCC2)c1)c1nc(-c2ccccc2)n2c1CCCCC2.

What is the InChIKey of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

The InChIKey is WNNIKQZWBROHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c31-25(27-18-19-10-11-26-22(17-19)29-13-15-32-16-14-29)23-21-9-5-2-6-12-30(21)24(28-23)20-7-3-1-4-8-20/h1,3-4,7-8,10-11,17H,2,5-6,9,12-16,18H2,(H,27,31).

What are the key properties of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is sourced from PubChem (CID 55636749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).