(2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C33H35F2NO6 — CID 134208919

IUPAC(2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCOc1ccc(F)c(C(=O)N2CCc3c2cc(C)c([C@H](OC(C)(C)C)C(=O)O)c3-c2cc(F)c3c(c2C)CCCO3)c1
InChIInChI=1S/C33H35F2NO6/c1-17-14-26-21(11-12-36(26)31(37)23-15-19(40-6)9-10-24(23)34)28(27(17)30(32(38)39)42-33(3,4)5)22-16-25(35)29-20(18(22)2)8-7-13-41-29/h9-10,14-16,30H,7-8,11-13H2,1-6H3,(H,38,39)/t30-/m0/s1
InChIKeyFSMJPENRZXMMDH-PMERELPUSA-N
MW579.64 g/mol
LogP6.73
Rot. Bonds6

About (2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

(2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 134208919) has the molecular formula C33H35F2NO6 and a molecular weight of 579.64 g/mol. Its IUPAC name is (2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name(2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID134208919
Molecular FormulaC33H35F2NO6
Molecular Weight579.64 g/mol
Exact Mass579.24
IUPAC Name(2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCOc1ccc(F)c(C(=O)N2CCc3c2cc(C)c([C@H](OC(C)(C)C)C(=O)O)c3-c2cc(F)c3c(c2C)CCCO3)c1
InChIInChI=1S/C33H35F2NO6/c1-17-14-26-21(11-12-36(26)31(37)23-15-19(40-6)9-10-24(23)34)28(27(17)30(32(38)39)42-33(3,4)5)22-16-25(35)29-20(18(22)2)8-7-13-41-29/h9-10,14-16,30H,7-8,11-13H2,1-6H3,(H,38,39)/t30-/m0/s1
InChIKeyFSMJPENRZXMMDH-PMERELPUSA-N
XLogP6.73
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.64
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]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

(2S)-2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(4-methoxy-2-methylbenzoyl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 139488986
(2S)-2-[1-(5-chloro-2-fluorobenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 134221685
2-[1-(3-chloro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 145450551
2-[1-(2,4-dichlorobenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 145450645
(2S)-2-[1-(2,4-dichlorobenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 134209468
2-[1-(2,6-dimethoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 153431207
2-[1-(5-fluoro-2-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 153431222
2-[1-(4-fluoro-3-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 153431211
2-[1-(2-chloro-3-methylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 153431133
(2S)-2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-1-(3-methylbenzoyl)-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 158645983
2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 153431138
2-[4-(8-methoxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 145450627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of (2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 134208919) is (2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for (2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for (2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is COc1ccc(F)c(C(=O)N2CCc3c2cc(C)c([C@H](OC(C)(C)C)C(=O)O)c3-c2cc(F)c3c(c2C)CCCO3)c1.
What is the InChIKey of (2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is FSMJPENRZXMMDH-PMERELPUSA-N. The full InChI is InChI=1S/C33H35F2NO6/c1-17-14-26-21(11-12-36(26)31(37)23-15-19(40-6)9-10-24(23)34)28(27(17)30(32(38)39)42-33(3,4)5)22-16-25(35)29-20(18(22)2)8-7-13-41-29/h9-10,14-16,30H,7-8,11-13H2,1-6H3,(H,38,39)/t30-/m0/s1.
What are the key properties of (2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
(2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 579.64 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2-fluoro-5-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 134208919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).