(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide

C29H37N5O3 — CID 24965409

About (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide

(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide (PubChem CID 24965409) has the molecular formula C29H37N5O3 and a molecular weight of 503.65 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide
• PubChem CID: 24965409
• Molecular Formula: C29H37N5O3
• Molecular Weight: 503.65 g/mol
• Exact Mass: 503.29
• IUPAC Name: (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide
• SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(C)ccc(-c3ccccc3)c2n1)C1CCOCC1
• InChI: InChI=1S/C29H37N5O3/c1-19-11-12-23(21-8-5-4-6-9-21)27-31-24(18-34(19)27)25-10-7-15-33(25)29(36)26(22-13-16-37-17-14-22)32-28(35)20(2)30-3/h4-6,8-9,11-12,18,20,22,25-26,30H,7,10,13-17H2,1-3H3,(H,32,35)/t20-,25-,26-/m0/s1
• InChIKey: PFNHACDUZDVXQW-XZZVZQAVSA-N
• XLogP: 3.49
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.65
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide?

The IUPAC name of (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide (CID 24965409) is (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide.

What is the SMILES notation for (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide?

The canonical SMILES for (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(C)ccc(-c3ccccc3)c2n1)C1CCOCC1.

What is the InChIKey of (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide?

The InChIKey is PFNHACDUZDVXQW-XZZVZQAVSA-N. The full InChI is InChI=1S/C29H37N5O3/c1-19-11-12-23(21-8-5-4-6-9-21)27-31-24(18-34(19)27)25-10-7-15-33(25)29(36)26(22-13-16-37-17-14-22)32-28(35)20(2)30-3/h4-6,8-9,11-12,18,20,22,25-26,30H,7,10,13-17H2,1-3H3,(H,32,35)/t20-,25-,26-/m0/s1.

What are the key properties of (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide?

(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide has a molecular weight of 503.65 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide is sourced from PubChem (CID 24965409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).