3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid

C27H25ClF2N4O4 — CID 153361482

IUPAC3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(N3CCC(F)(COCc4c(-c5c(F)cccc5Cl)noc4C4CC4)CC3)n[nH]c2c1
InChIInChI=1S/C27H25ClF2N4O4/c28-19-2-1-3-20(29)22(19)23-18(24(38-33-23)15-4-5-15)13-37-14-27(30)8-10-34(11-9-27)25-17-7-6-16(26(35)36)12-21(17)31-32-25/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,31,32)(H,35,36)
InChIKeyKSHSVVREJNERKS-UHFFFAOYSA-N
MW542.97 g/mol
LogP6.11
Rot. Bonds8

About 3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid

3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid (PubChem CID 153361482) has the molecular formula C27H25ClF2N4O4 and a molecular weight of 542.97 g/mol. Its IUPAC name is 3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid
PubChem CID153361482
Molecular FormulaC27H25ClF2N4O4
Molecular Weight542.97 g/mol
Exact Mass542.15
IUPAC Name3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(N3CCC(F)(COCc4c(-c5c(F)cccc5Cl)noc4C4CC4)CC3)n[nH]c2c1
InChIInChI=1S/C27H25ClF2N4O4/c28-19-2-1-3-20(29)22(19)23-18(24(38-33-23)15-4-5-15)13-37-14-27(30)8-10-34(11-9-27)25-17-7-6-16(26(35)36)12-21(17)31-32-25/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,31,32)(H,35,36)
InChIKeyKSHSVVREJNERKS-UHFFFAOYSA-N
XLogP6.11
TPSA104.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.97
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic 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

3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole
CID 146244928
3-[(1S,5R)-3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-yl]-4-fluorobenzoic acid
CID 151225404
2-[4-[[5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
CID 162671675
4-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-1-bicyclo[2.2.2]octanyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 138602041
4-[(1R,3R,5R,6S,8S)-3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-hydroxy-6-methyl-8-bicyclo[3.2.1]octanyl]-3-fluorobenzoic acid
CID 130388860
4-[[(1R,5S)-3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]sulfonylamino]-3-fluorobenzoic acid
CID 171357167
4-[4-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-4-hydroxypiperidin-1-yl]benzoic acid
CID 121427664
4-[3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3,5-difluorobenzoic acid
CID 67985241
ethyl 2-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylate
CID 57389847
2-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-hydroxy-8-bicyclo[3.2.1]octanyl]pyridine-4-carboxylic acid
CID 140726431
4-[4-[4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]benzoic acid
CID 157417870
3-[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-yl]benzoic acid
CID 146364155

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid?
The IUPAC name of 3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid (CID 153361482) is 3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid?
The canonical SMILES for 3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid is O=C(O)c1ccc2c(N3CCC(F)(COCc4c(-c5c(F)cccc5Cl)noc4C4CC4)CC3)n[nH]c2c1.
What is the InChIKey of 3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid?
The InChIKey is KSHSVVREJNERKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N4O4/c28-19-2-1-3-20(29)22(19)23-18(24(38-33-23)15-4-5-15)13-37-14-27(30)8-10-34(11-9-27)25-17-7-6-16(26(35)36)12-21(17)31-32-25/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,31,32)(H,35,36).
What are the key properties of 3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid?
3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid has a molecular weight of 542.97 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 153361482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).