ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate

C28H29N7O5 — CID 10196422

About ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate

ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate (PubChem CID 10196422) has the molecular formula C28H29N7O5 and a molecular weight of 543.58 g/mol. Its IUPAC name is ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate
• PubChem CID: 10196422
• Molecular Formula: C28H29N7O5
• Molecular Weight: 543.58 g/mol
• Exact Mass: 543.22
• IUPAC Name: ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate
• SMILES: CCOC(=O)N(C)Cc1nccn1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1
• InChI: InChI=1S/C28H29N7O5/c1-4-40-28(38)32(2)17-23-30-14-16-33(23)18-5-7-19(8-6-18)34-15-13-22-24(26(29)36)31-35(25(22)27(34)37)20-9-11-21(39-3)12-10-20/h5-12,14,16H,4,13,15,17H2,1-3H3,(H2,29,36)
• InChIKey: RWIWUHMGFJBPOJ-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 137.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.58
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate?

The IUPAC name of ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate (CID 10196422) is ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate.

What is the SMILES notation for ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate?

The canonical SMILES for ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate is CCOC(=O)N(C)Cc1nccn1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1.

What is the InChIKey of ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate?

The InChIKey is RWIWUHMGFJBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O5/c1-4-40-28(38)32(2)17-23-30-14-16-33(23)18-5-7-19(8-6-18)34-15-13-22-24(26(29)36)31-35(25(22)27(34)37)20-9-11-21(39-3)12-10-20/h5-12,14,16H,4,13,15,17H2,1-3H3,(H2,29,36).

What are the key properties of ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate?

ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate has a molecular weight of 543.58 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 10196422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).