N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

C30H39N7O4 — CID 129043993

About N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 129043993) has the molecular formula C30H39N7O4 and a molecular weight of 561.69 g/mol. Its IUPAC name is N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 129043993
• Molecular Formula: C30H39N7O4
• Molecular Weight: 561.69 g/mol
• Exact Mass: 561.31
• IUPAC Name: N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
• SMILES: CNCC(=O)NC(C(=O)N1CCCC1CN(CCc1ccccc1)C(=O)c1cn2cccnc2n1)C1CCOCC1
• InChI: InChI=1S/C30H39N7O4/c1-31-19-26(38)34-27(23-11-17-41-18-12-23)29(40)37-15-5-9-24(37)20-35(16-10-22-7-3-2-4-8-22)28(39)25-21-36-14-6-13-32-30(36)33-25/h2-4,6-8,13-14,21,23-24,27,31H,5,9-12,15-20H2,1H3,(H,34,38)
• InChIKey: PKPYPLSSJDRLOP-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 121.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 129043993) is N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is CNCC(=O)NC(C(=O)N1CCCC1CN(CCc1ccccc1)C(=O)c1cn2cccnc2n1)C1CCOCC1.

What is the InChIKey of N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is PKPYPLSSJDRLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O4/c1-31-19-26(38)34-27(23-11-17-41-18-12-23)29(40)37-15-5-9-24(37)20-35(16-10-22-7-3-2-4-8-22)28(39)25-21-36-14-6-13-32-30(36)33-25/h2-4,6-8,13-14,21,23-24,27,31H,5,9-12,15-20H2,1H3,(H,34,38).

What are the key properties of N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?

N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 561.69 g/mol, XLogP of 1.54, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-[[2-(methylamino)acetyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 129043993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).