N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide

C21H24N4O — CID 95138623

About N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide

N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide (PubChem CID 95138623) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
• PubChem CID: 95138623
• Molecular Formula: C21H24N4O
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.20
• IUPAC Name: N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
• SMILES: Cc1cn2c(n1)CC[C@H](NC(=O)CCc1ccc(-c3ccccc3)[nH]1)C2
• InChI: InChI=1S/C21H24N4O/c1-15-13-25-14-18(8-11-20(25)22-15)24-21(26)12-9-17-7-10-19(23-17)16-5-3-2-4-6-16/h2-7,10,13,18,23H,8-9,11-12,14H2,1H3,(H,24,26)/t18-/m0/s1
• InChIKey: LBWJQHLWWJPYMX-SFHVURJKSA-N
• XLogP: 3.25
• TPSA: 62.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide (CID 95138623) is N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide.

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

The canonical SMILES for N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide is Cc1cn2c(n1)CC[C@H](NC(=O)CCc1ccc(-c3ccccc3)[nH]1)C2.

What is the InChIKey of N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?

The InChIKey is LBWJQHLWWJPYMX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-13-25-14-18(8-11-20(25)22-15)24-21(26)12-9-17-7-10-19(23-17)16-5-3-2-4-6-16/h2-7,10,13,18,23H,8-9,11-12,14H2,1H3,(H,24,26)/t18-/m0/s1.

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

N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide is sourced from PubChem (CID 95138623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).