2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid

C30H34N2O3 — CID 91552794

IUPAC2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
SMILESCC1=C(C(=O)N2CCc3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc32)N=CCC1C
InChIInChI=1S/C30H34N2O3/c1-19-13-15-31-29(20(19)2)30(35)32-16-14-26-18-25(11-12-27(26)32)24-9-7-23(8-10-24)22-5-3-21(4-6-22)17-28(33)34/h7-12,15,18-19,21-22H,3-6,13-14,16-17H2,1-2H3,(H,33,34)
InChIKeyLAQDIDWFLFGFHZ-UHFFFAOYSA-N
MW470.61 g/mol
LogP6.38
Rot. Bonds5

About 2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 91552794) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
PubChem CID91552794
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
SMILESCC1=C(C(=O)N2CCc3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc32)N=CCC1C
InChIInChI=1S/C30H34N2O3/c1-19-13-15-31-29(20(19)2)30(35)32-16-14-26-18-25(11-12-27(26)32)24-9-7-23(8-10-24)22-5-3-21(4-6-22)17-28(33)34/h7-12,15,18-19,21-22H,3-6,13-14,16-17H2,1-2H3,(H,33,34)
InChIKeyLAQDIDWFLFGFHZ-UHFFFAOYSA-N
XLogP6.38
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid (CID 91552794) is 2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid is CC1=C(C(=O)N2CCc3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc32)N=CCC1C.
What is the InChIKey of 2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is LAQDIDWFLFGFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-19-13-15-31-29(20(19)2)30(35)32-16-14-26-18-25(11-12-27(26)32)24-9-7-23(8-10-24)22-5-3-21(4-6-22)17-28(33)34/h7-12,15,18-19,21-22H,3-6,13-14,16-17H2,1-2H3,(H,33,34).
What are the key properties of 2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 470.61 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 91552794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).