(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide

C21H28N6O4 — CID 163654126

About (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide

(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide (PubChem CID 163654126) has the molecular formula C21H28N6O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide
• PubChem CID: 163654126
• Molecular Formula: C21H28N6O4
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.22
• IUPAC Name: (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide
• SMILES: CC(C)C[C@H](CC(=O)c1nc2ncccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O
• InChI: InChI=1S/C21H28N6O4/c1-11(2)8-13(10-16(28)19-25-14-4-3-6-23-18(14)27-19)21(31)26-15(17(22)29)9-12-5-7-24-20(12)30/h3-4,6,11-13,15H,5,7-10H2,1-2H3,(H2,22,29)(H,24,30)(H,26,31)(H,23,25,27)/t12-,13+,15-/m0/s1
• InChIKey: DONHQCSMAYLGSF-GUTXKFCHSA-N
• XLogP: 0.69
• TPSA: 159.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide?

The IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide (CID 163654126) is (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide.

What is the SMILES notation for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide?

The canonical SMILES for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide is CC(C)C[C@H](CC(=O)c1nc2ncccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O.

What is the InChIKey of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide?

The InChIKey is DONHQCSMAYLGSF-GUTXKFCHSA-N. The full InChI is InChI=1S/C21H28N6O4/c1-11(2)8-13(10-16(28)19-25-14-4-3-6-23-18(14)27-19)21(31)26-15(17(22)29)9-12-5-7-24-20(12)30/h3-4,6,11-13,15H,5,7-10H2,1-2H3,(H2,22,29)(H,24,30)(H,26,31)(H,23,25,27)/t12-,13+,15-/m0/s1.

What are the key properties of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide?

(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide has a molecular weight of 428.49 g/mol, XLogP of 0.69, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 163654126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).