N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide

C32H31N5O2 — CID 176600607

About N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide

N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide (PubChem CID 176600607) has the molecular formula C32H31N5O2 and a molecular weight of 517.63 g/mol. Its IUPAC name is N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide
• PubChem CID: 176600607
• Molecular Formula: C32H31N5O2
• Molecular Weight: 517.63 g/mol
• Exact Mass: 517.25
• IUPAC Name: N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide
• SMILES: Cc1ccc(OCC2CCN2C)cc1C(=O)NC1(c2cc(-c3ncn4ccccc34)cc3ncccc23)CC1
• InChI: InChI=1S/C32H31N5O2/c1-21-8-9-24(39-19-23-10-15-36(23)2)18-26(21)31(38)35-32(11-12-32)27-16-22(17-28-25(27)6-5-13-33-28)30-29-7-3-4-14-37(29)20-34-30/h3-9,13-14,16-18,20,23H,10-12,15,19H2,1-2H3,(H,35,38)
• InChIKey: MKHPMDBJLRWYKO-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.63
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide?

The IUPAC name of N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide (CID 176600607) is N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide.

What is the SMILES notation for N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide?

The canonical SMILES for N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide is Cc1ccc(OCC2CCN2C)cc1C(=O)NC1(c2cc(-c3ncn4ccccc34)cc3ncccc23)CC1.

What is the InChIKey of N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide?

The InChIKey is MKHPMDBJLRWYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O2/c1-21-8-9-24(39-19-23-10-15-36(23)2)18-26(21)31(38)35-32(11-12-32)27-16-22(17-28-25(27)6-5-13-33-28)30-29-7-3-4-14-37(29)20-34-30/h3-9,13-14,16-18,20,23H,10-12,15,19H2,1-2H3,(H,35,38).

What are the key properties of N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide?

N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide has a molecular weight of 517.63 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(7-imidazo[1,5-a]pyridin-1-ylquinolin-5-yl)cyclopropyl]-2-methyl-5-[(1-methylazetidin-2-yl)methoxy]benzamide is sourced from PubChem (CID 176600607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).