4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one

C29H25ClF3N5O5 — CID 149049826

IUPAC4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
SMILESCOCCC(C(=O)Cc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)(F)F)o2)cc1=O
InChIInChI=1S/C29H25ClF3N5O5/c1-37-14-17-10-16(4-7-22(17)36-37)11-24(39)23(8-9-41-2)38-15-25(42-3)21(13-26(38)40)20-12-18(30)5-6-19(20)27-34-35-28(43-27)29(31,32)33/h4-7,10,12-15,23H,8-9,11H2,1-3H3
InChIKeyQJPFGOCHZCSBDU-UHFFFAOYSA-N
MW616.00 g/mol
LogP5.52
Rot. Bonds10

About 4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one

4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one (PubChem CID 149049826) has the molecular formula C29H25ClF3N5O5 and a molecular weight of 616.00 g/mol. Its IUPAC name is 4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
PubChem CID149049826
Molecular FormulaC29H25ClF3N5O5
Molecular Weight616.00 g/mol
Exact Mass615.15
IUPAC Name4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
SMILESCOCCC(C(=O)Cc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)(F)F)o2)cc1=O
InChIInChI=1S/C29H25ClF3N5O5/c1-37-14-17-10-16(4-7-22(17)36-37)11-24(39)23(8-9-41-2)38-15-25(42-3)21(13-26(38)40)20-12-18(30)5-6-19(20)27-34-35-28(43-27)29(31,32)33/h4-7,10,12-15,23H,8-9,11H2,1-3H3
InChIKeyQJPFGOCHZCSBDU-UHFFFAOYSA-N
XLogP5.52
TPSA114.27 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.00
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one 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

US10421742, Example 157
CID 135205941
US10421742, Example 30
CID 135205971
US10421742, Example 151
CID 135205384
US10421742, Example 83
CID 135205398
US10421742, Example 75
CID 135205440
US10421742, Example 76
CID 135205552
2-[4-[5-chloro-2-[2-(difluoromethyl)-1,3-oxazol-5-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
CID 172456303
4-{[(5Z)-5-({1-[4-Chloro-2-(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl}benzoic acid tert-butyl ester
CID 86659702
3-{[(5Z)-5-({1-[4-Chloro-2-(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl}benzoic acid methyl ester
CID 86659703
2-{[(5Z)-5-({1-[4-Chloro-2-(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl}benzoic acid methyl ester
CID 86659704
Methyl 3-[[5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
CID 123398918
Methyl 2-[[5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
CID 123596186

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
The IUPAC name of 4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one (CID 149049826) is 4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one.
What is the SMILES notation for 4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
The canonical SMILES for 4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one is COCCC(C(=O)Cc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)(F)F)o2)cc1=O.
What is the InChIKey of 4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
The InChIKey is QJPFGOCHZCSBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClF3N5O5/c1-37-14-17-10-16(4-7-22(17)36-37)11-24(39)23(8-9-41-2)38-15-25(42-3)21(13-26(38)40)20-12-18(30)5-6-19(20)27-34-35-28(43-27)29(31,32)33/h4-7,10,12-15,23H,8-9,11H2,1-3H3.
What are the key properties of 4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one has a molecular weight of 616.00 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-1-[(3S)-5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one is sourced from PubChem (CID 149049826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).