N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide

C35H41N7O9 — CID 156547089

About N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide

N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide (PubChem CID 156547089) has the molecular formula C35H41N7O9 and a molecular weight of 703.75 g/mol. Its IUPAC name is N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide
• PubChem CID: 156547089
• Molecular Formula: C35H41N7O9
• Molecular Weight: 703.75 g/mol
• Exact Mass: 703.30
• IUPAC Name: N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3c2cnn3C)cc(OC)c1COCC(=O)NCC(C)CCNC(=O)c1ccc(=O)n(C2CCC(=O)NC2=O)c1
• InChI: InChI=1S/C35H41N7O9/c1-20(10-11-36-33(46)21-6-9-31(45)42(16-21)26-7-8-29(43)39-34(26)47)14-37-30(44)19-51-18-25-27(49-4)12-22(13-28(25)50-5)24-17-40(2)35(48)32-23(24)15-38-41(32)3/h6,9,12-13,15-17,20,26H,7-8,10-11,14,18-19H2,1-5H3,(H,36,46)(H,37,44)(H,39,43,47)
• InChIKey: NCIVRQYIDXMEGB-UHFFFAOYSA-N
• XLogP: 1.18
• TPSA: 193.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.75
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide (CID 156547089) is N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide is COc1cc(-c2cn(C)c(=O)c3c2cnn3C)cc(OC)c1COCC(=O)NCC(C)CCNC(=O)c1ccc(=O)n(C2CCC(=O)NC2=O)c1.

What is the InChIKey of N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide?

The InChIKey is NCIVRQYIDXMEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N7O9/c1-20(10-11-36-33(46)21-6-9-31(45)42(16-21)26-7-8-29(43)39-34(26)47)14-37-30(44)19-51-18-25-27(49-4)12-22(13-28(25)50-5)24-17-40(2)35(48)32-23(24)15-38-41(32)3/h6,9,12-13,15-17,20,26H,7-8,10-11,14,18-19H2,1-5H3,(H,36,46)(H,37,44)(H,39,43,47).

What are the key properties of N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide?

N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide has a molecular weight of 703.75 g/mol, XLogP of 1.18, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 156547089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).