(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide

C30H38N4O3 — CID 58056731

About (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide

(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide (PubChem CID 58056731) has the molecular formula C30H38N4O3 and a molecular weight of 502.66 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide.

Molecular Properties

• Compound Name: (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide
• PubChem CID: 58056731
• Molecular Formula: C30H38N4O3
• Molecular Weight: 502.66 g/mol
• Exact Mass: 502.29
• IUPAC Name: (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide
• SMILES: CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2ccc(C)c(-c3ccccc3)c2n1)C1CCOCC1
• InChI: InChI=1S/C30H38N4O3/c1-4-20(2)29(35)32-27(23-13-17-37-18-14-23)30(36)34-15-8-11-25(34)24-19-33-16-12-21(3)26(28(33)31-24)22-9-6-5-7-10-22/h5-7,9-10,12,16,19-20,23,25,27H,4,8,11,13-15,17-18H2,1-3H3,(H,32,35)/t20-,25+,27+/m1/s1
• InChIKey: PVOBXDQIXVXPEP-RAHIQWLESA-N
• XLogP: 4.93
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.66
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?

The IUPAC name of (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide (CID 58056731) is (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide.

What is the SMILES notation for (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?

The canonical SMILES for (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2ccc(C)c(-c3ccccc3)c2n1)C1CCOCC1.

What is the InChIKey of (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?

The InChIKey is PVOBXDQIXVXPEP-RAHIQWLESA-N. The full InChI is InChI=1S/C30H38N4O3/c1-4-20(2)29(35)32-27(23-13-17-37-18-14-23)30(36)34-15-8-11-25(34)24-19-33-16-12-21(3)26(28(33)31-24)22-9-6-5-7-10-22/h5-7,9-10,12,16,19-20,23,25,27H,4,8,11,13-15,17-18H2,1-3H3,(H,32,35)/t20-,25+,27+/m1/s1.

What are the key properties of (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?

(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide has a molecular weight of 502.66 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide is sourced from PubChem (CID 58056731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).