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

C28H24ClF3N6O3 — CID 157250809

IUPAC4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
SMILESCCC(C(=O)Cc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O
InChIInChI=1S/C28H24ClF3N6O3/c1-4-22(24(39)10-16-5-7-21-17(9-16)13-36(2)34-21)37-14-25(41-3)20(12-27(37)40)19-11-18(29)6-8-23(19)38-15-26(33-35-38)28(30,31)32/h5-9,11-15,22H,4,10H2,1-3H3
InChIKeyAWHXOPCKQVHZOB-UHFFFAOYSA-N
MW584.99 g/mol
LogP5.43
Rot. Bonds8

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

4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one (PubChem CID 157250809) has the molecular formula C28H24ClF3N6O3 and a molecular weight of 584.99 g/mol. Its IUPAC name is 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
PubChem CID157250809
Molecular FormulaC28H24ClF3N6O3
Molecular Weight584.99 g/mol
Exact Mass584.16
IUPAC Name4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
SMILESCCC(C(=O)Cc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O
InChIInChI=1S/C28H24ClF3N6O3/c1-4-22(24(39)10-16-5-7-21-17(9-16)13-36(2)34-21)37-14-25(41-3)20(12-27(37)40)19-11-18(29)6-8-23(19)38-15-26(33-35-38)28(30,31)32/h5-9,11-15,22H,4,10H2,1-3H3
InChIKeyAWHXOPCKQVHZOB-UHFFFAOYSA-N
XLogP5.43
TPSA96.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.99
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-1-[2-oxo-1-[3-(trifluoromethyl)quinoxalin-6-yl]pentan-3-yl]pyridin-2-one
CID 146803044
4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-1-[(3S)-1-[2-(difluoromethyl)indazol-5-yl]-2-oxopentan-3-yl]-5-methoxypyridin-2-one
CID 147679116
4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylquinolin-6-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 158279277
(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
CID 135206046
4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoyl]-2-fluorobenzoic acid
CID 175461433
4-[(3S)-3-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxobutyl]-2-fluorobenzamide
CID 149428433
4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 147445142
4-[[(2S)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoyl]amino]-2-fluorobenzoic acid
CID 168873663
(2S)-N-[4-(1-aminoethenyl)-3-fluorophenyl]-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide
CID 157299395
methyl 6-[1-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propyl]naphthalene-2-carboxylate
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2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)indazol-5-yl]butanamide
CID 135204990
4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 147607856

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
The IUPAC name of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one (CID 157250809) is 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one.
What is the SMILES notation for 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
The canonical SMILES for 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one is CCC(C(=O)Cc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O.
What is the InChIKey of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
The InChIKey is AWHXOPCKQVHZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF3N6O3/c1-4-22(24(39)10-16-5-7-21-17(9-16)13-36(2)34-21)37-14-25(41-3)20(12-27(37)40)19-11-18(29)6-8-23(19)38-15-26(33-35-38)28(30,31)32/h5-9,11-15,22H,4,10H2,1-3H3.
What are the key properties of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one has a molecular weight of 584.99 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one is sourced from PubChem (CID 157250809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).