N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C32H31F5N4O2 — CID 71186726

IUPACN-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1cc(C)c(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(C)c1
InChIInChI=1S/C32H31F5N4O2/c1-18-11-23(43-3)12-19(2)29(18)25-8-6-10-38-30(25)26(15-20-13-21(33)16-22(34)14-20)39-28(42)17-41-27-9-5-4-7-24(27)31(40-41)32(35,36)37/h6,8,10-14,16,26H,4-5,7,9,15,17H2,1-3H3,(H,39,42)
InChIKeyFSXYBKBPAWNQRW-UHFFFAOYSA-N
MW598.62 g/mol
LogP6.85
Rot. Bonds8

About N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 71186726) has the molecular formula C32H31F5N4O2 and a molecular weight of 598.62 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID71186726
Molecular FormulaC32H31F5N4O2
Molecular Weight598.62 g/mol
Exact Mass598.24
IUPAC NameN-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1cc(C)c(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(C)c1
InChIInChI=1S/C32H31F5N4O2/c1-18-11-23(43-3)12-19(2)29(18)25-8-6-10-38-30(25)26(15-20-13-21(33)16-22(34)14-20)39-28(42)17-41-27-9-5-4-7-24(27)31(40-41)32(35,36)37/h6,8,10-14,16,26H,4-5,7,9,15,17H2,1-3H3,(H,39,42)
InChIKeyFSXYBKBPAWNQRW-UHFFFAOYSA-N
XLogP6.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.62
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 71186726) is N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is COc1cc(C)c(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(C)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is FSXYBKBPAWNQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F5N4O2/c1-18-11-23(43-3)12-19(2)29(18)25-8-6-10-38-30(25)26(15-20-13-21(33)16-22(34)14-20)39-28(42)17-41-27-9-5-4-7-24(27)31(40-41)32(35,36)37/h6,8,10-14,16,26H,4-5,7,9,15,17H2,1-3H3,(H,39,42).
What are the key properties of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 598.62 g/mol, XLogP of 6.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 71186726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).