5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile

C24H29N5 — CID 69446941

About 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile

5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 69446941) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

• Compound Name: 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile
• PubChem CID: 69446941
• Molecular Formula: C24H29N5
• Molecular Weight: 387.53 g/mol
• Exact Mass: 387.24
• IUPAC Name: 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile
• SMILES: Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)n2cc(C(C)C)nc2c1C#N
• InChI: InChI=1S/C24H29N5/c1-16(2)21-15-29-23(26-21)20(13-25)17(3)22(18-9-7-6-8-10-18)24(29)28-12-11-19(14-28)27(4)5/h6-10,15-16,19H,11-12,14H2,1-5H3/t19-/m0/s1
• InChIKey: SHIXBVCTAUWNBE-IBGZPJMESA-N
• XLogP: 4.45
• TPSA: 47.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.53
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile?

The IUPAC name of 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile (CID 69446941) is 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile.

What is the SMILES notation for 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile?

The canonical SMILES for 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile is Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)n2cc(C(C)C)nc2c1C#N.

What is the InChIKey of 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile?

The InChIKey is SHIXBVCTAUWNBE-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N5/c1-16(2)21-15-29-23(26-21)20(13-25)17(3)22(18-9-7-6-8-10-18)24(29)28-12-11-19(14-28)27(4)5/h6-10,15-16,19H,11-12,14H2,1-5H3/t19-/m0/s1.

What are the key properties of 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile?

5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 387.53 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 69446941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).