3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide

C35H39N7O4 — CID 76732424

About 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide

3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide (PubChem CID 76732424) has the molecular formula C35H39N7O4 and a molecular weight of 621.74 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide
• PubChem CID: 76732424
• Molecular Formula: C35H39N7O4
• Molecular Weight: 621.74 g/mol
• Exact Mass: 621.31
• IUPAC Name: 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide
• SMILES: COc1ccc(CC(NC(=O)CCc2cnc[nH]2)C(=O)N2CCC3(CC2)C(=O)N(Cc2ccccn2)CN3c2ccccc2)cc1
• InChI: InChI=1S/C35H39N7O4/c1-46-30-13-10-26(11-14-30)21-31(39-32(43)15-12-27-22-36-24-38-27)33(44)40-19-16-35(17-20-40)34(45)41(23-28-7-5-6-18-37-28)25-42(35)29-8-3-2-4-9-29/h2-11,13-14,18,22,24,31H,12,15-17,19-21,23,25H2,1H3,(H,36,38)(H,39,43)
• InChIKey: WNAIRFQKRJCDKP-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 123.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	621.74
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide?

The IUPAC name of 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide (CID 76732424) is 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide.

What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide?

The canonical SMILES for 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide is COc1ccc(CC(NC(=O)CCc2cnc[nH]2)C(=O)N2CCC3(CC2)C(=O)N(Cc2ccccn2)CN3c2ccccc2)cc1.

What is the InChIKey of 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide?

The InChIKey is WNAIRFQKRJCDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N7O4/c1-46-30-13-10-26(11-14-30)21-31(39-32(43)15-12-27-22-36-24-38-27)33(44)40-19-16-35(17-20-40)34(45)41(23-28-7-5-6-18-37-28)25-42(35)29-8-3-2-4-9-29/h2-11,13-14,18,22,24,31H,12,15-17,19-21,23,25H2,1H3,(H,36,38)(H,39,43).

What are the key properties of 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide?

3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide has a molecular weight of 621.74 g/mol, XLogP of 3.34, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-oxo-1-phenyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]propanamide is sourced from PubChem (CID 76732424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).