N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide

C39H44F2N10O4 — CID 156823535

About N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide

N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide (PubChem CID 156823535) has the molecular formula C39H44F2N10O4 and a molecular weight of 754.84 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide
• PubChem CID: 156823535
• Molecular Formula: C39H44F2N10O4
• Molecular Weight: 754.84 g/mol
• Exact Mass: 754.35
• IUPAC Name: N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide
• SMILES: CN(CC1CCC(n2cc(NC(=O)c3ccnc4cccnc34)c(C(F)F)n2)CC1)C1CCN(c2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CC1
• InChI: InChI=1S/C39H44F2N10O4/c1-47(24-15-19-49(20-16-24)29-6-3-7-30-35(29)48(2)39(55)51(30)31-12-13-32(52)45-38(31)54)21-23-8-10-25(11-9-23)50-22-28(34(46-50)36(40)41)44-37(53)26-14-18-42-27-5-4-17-43-33(26)27/h3-7,14,17-18,22-25,31,36H,8-13,15-16,19-21H2,1-2H3,(H,44,53)(H,45,52,54)
• InChIKey: SUDZUEVQXXDWCM-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 152.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.84
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide (CID 156823535) is N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide is CN(CC1CCC(n2cc(NC(=O)c3ccnc4cccnc34)c(C(F)F)n2)CC1)C1CCN(c2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CC1.

What is the InChIKey of N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide?

The InChIKey is SUDZUEVQXXDWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44F2N10O4/c1-47(24-15-19-49(20-16-24)29-6-3-7-30-35(29)48(2)39(55)51(30)31-12-13-32(52)45-38(31)54)21-23-8-10-25(11-9-23)50-22-28(34(46-50)36(40)41)44-37(53)26-14-18-42-27-5-4-17-43-33(26)27/h3-7,14,17-18,22-25,31,36H,8-13,15-16,19-21H2,1-2H3,(H,44,53)(H,45,52,54).

What are the key properties of N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide?

N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide has a molecular weight of 754.84 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 156823535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).