N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide

C28H26F2N4O2 — CID 178011814

About N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide

N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide (PubChem CID 178011814) has the molecular formula C28H26F2N4O2 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide
• PubChem CID: 178011814
• Molecular Formula: C28H26F2N4O2
• Molecular Weight: 488.54 g/mol
• Exact Mass: 488.20
• IUPAC Name: N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide
• SMILES: CCn1nc(C(=O)Nc2cccc(C(F)F)c2)c2c(C)c(-c3ccc(N4CCCC4=O)cc3)ccc21
• InChI: InChI=1S/C28H26F2N4O2/c1-3-34-23-14-13-22(18-9-11-21(12-10-18)33-15-5-8-24(33)35)17(2)25(23)26(32-34)28(36)31-20-7-4-6-19(16-20)27(29)30/h4,6-7,9-14,16,27H,3,5,8,15H2,1-2H3,(H,31,36)
• InChIKey: CTVABMCKZWLJOX-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.54
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide (CID 178011814) is N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide is CCn1nc(C(=O)Nc2cccc(C(F)F)c2)c2c(C)c(-c3ccc(N4CCCC4=O)cc3)ccc21.

What is the InChIKey of N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide?

The InChIKey is CTVABMCKZWLJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O2/c1-3-34-23-14-13-22(18-9-11-21(12-10-18)33-15-5-8-24(33)35)17(2)25(23)26(32-34)28(36)31-20-7-4-6-19(16-20)27(29)30/h4,6-7,9-14,16,27H,3,5,8,15H2,1-2H3,(H,31,36).

What are the key properties of N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide?

N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethyl)phenyl]-1-ethyl-4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]indazole-3-carboxamide is sourced from PubChem (CID 178011814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).