2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid

C31H37F3N2O2 — CID 70315202

IUPAC2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid
SMILESCC(C)CC[C@@H](c1ccc(C(F)(F)F)cc1)n1c(C(C)C)c(-c2ccncc2)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C31H37F3N2O2/c1-19(2)8-13-26(21-9-11-24(12-10-21)31(32,33)34)36-29(20(3)4)28(22-14-16-35-17-15-22)25-7-5-6-23(30(25)36)18-27(37)38/h9-12,14-17,19-20,23,26H,5-8,13,18H2,1-4H3,(H,37,38)/t23?,26-/m0/s1
InChIKeyBRIDHDIUOFENKP-NASUQTAISA-N
MW526.64 g/mol
LogP8.61
Rot. Bonds9

About 2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid

2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid (PubChem CID 70315202) has the molecular formula C31H37F3N2O2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid
PubChem CID70315202
Molecular FormulaC31H37F3N2O2
Molecular Weight526.64 g/mol
Exact Mass526.28
IUPAC Name2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid
SMILESCC(C)CC[C@@H](c1ccc(C(F)(F)F)cc1)n1c(C(C)C)c(-c2ccncc2)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C31H37F3N2O2/c1-19(2)8-13-26(21-9-11-24(12-10-21)31(32,33)34)36-29(20(3)4)28(22-14-16-35-17-15-22)25-7-5-6-23(30(25)36)18-27(37)38/h9-12,14-17,19-20,23,26H,5-8,13,18H2,1-4H3,(H,37,38)/t23?,26-/m0/s1
InChIKeyBRIDHDIUOFENKP-NASUQTAISA-N
XLogP8.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-tert-butyl-1-[(1R)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-4,5,6,7-tetrahydroindol-7-yl]acetic acid
CID 58986245
2-[3-phenyl-1-[1-[4-(trifluoromethyl)phenyl]butyl]-4,5,6,7-tetrahydroindol-7-yl]acetic acid
CID 11597689
2-[1-[(1R)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-4-yl]acetic acid
CID 70327368
2-[3-(2-amino-4-chlorophenyl)-2-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindol-7-yl]acetic acid
CID 89165836
2-[(7R)-3-(2,4-dichlorophenyl)-1-[(1R)-1-[4-(trifluoromethyl)phenyl]butyl]-4,5,6,7-tetrahydroindol-7-yl]acetic acid
CID 68709637
2-[2-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindol-7-yl]acetic acid
CID 58986283
ethyl 2-[9-[2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-6-propan-2-yl-1,2,3,4-tetrahydrocarbazol-1-yl]acetate
CID 59746393
2-[(4R)-1-[(1R)-4-methyl-1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 162582413
2-[3-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindol-7-yl]acetic acid
CID 143454957
2-[1-[1-(4-formylphenyl)-4-methylpentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 87447698
2-[(4R)-1-[(1R)-4-methyl-1-(4-prop-2-enylphenyl)pentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 89105416
2-[(1R)-6-fluoro-8-(sulfinomethyl)-9-[(1S)-1-[4-[tris(phosphanyl)methyl]phenyl]ethyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 58120307

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid?
The IUPAC name of 2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid (CID 70315202) is 2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid?
The canonical SMILES for 2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid is CC(C)CC[C@@H](c1ccc(C(F)(F)F)cc1)n1c(C(C)C)c(-c2ccncc2)c2c1C(CC(=O)O)CCC2.
What is the InChIKey of 2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid?
The InChIKey is BRIDHDIUOFENKP-NASUQTAISA-N. The full InChI is InChI=1S/C31H37F3N2O2/c1-19(2)8-13-26(21-9-11-24(12-10-21)31(32,33)34)36-29(20(3)4)28(22-14-16-35-17-15-22)25-7-5-6-23(30(25)36)18-27(37)38/h9-12,14-17,19-20,23,26H,5-8,13,18H2,1-4H3,(H,37,38)/t23?,26-/m0/s1.
What are the key properties of 2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid?
2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid has a molecular weight of 526.64 g/mol, XLogP of 8.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S)-4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-propan-2-yl-3-pyridin-4-yl-4,5,6,7-tetrahydroindol-7-yl]acetic acid is sourced from PubChem (CID 70315202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).