2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide

C28H23ClF3N5O4 — CID 135205719

IUPAC2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
SMILESCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(C(F)(F)F)on2)cc1=O
InChIInChI=1S/C28H23ClF3N5O4/c1-4-23(27(39)33-17-6-8-21-15(9-17)13-36(2)34-21)37-14-24(40-3)20(11-26(37)38)19-10-16(29)5-7-18(19)22-12-25(41-35-22)28(30,31)32/h5-14,23H,4H2,1-3H3,(H,33,39)
InChIKeyKLVMLPOMRPNVJU-UHFFFAOYSA-N
MW585.97 g/mol
LogP6.33
Rot. Bonds7

About 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide

2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide (PubChem CID 135205719) has the molecular formula C28H23ClF3N5O4 and a molecular weight of 585.97 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
PubChem CID135205719
Molecular FormulaC28H23ClF3N5O4
Molecular Weight585.97 g/mol
Exact Mass585.14
IUPAC Name2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
SMILESCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(C(F)(F)F)on2)cc1=O
InChIInChI=1S/C28H23ClF3N5O4/c1-4-23(27(39)33-17-6-8-21-15(9-17)13-36(2)34-21)37-14-24(40-3)20(11-26(37)38)19-10-16(29)5-7-18(19)22-12-25(41-35-22)28(30,31)32/h5-14,23H,4H2,1-3H3,(H,33,39)
InChIKeyKLVMLPOMRPNVJU-UHFFFAOYSA-N
XLogP6.33
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.97
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(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
2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
CID 135211513
2-[4-[2-(1-amino-4,4-difluoro-3-oxobut-1-enyl)-5-chlorophenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
CID 162598085
(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide
CID 135204928
2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 135315721
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
2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]butanamide
CID 135205934
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
2-[4-[5-chloro-2-[3-methyl-4-(trifluoromethyl)-2H-triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(trifluoromethyl)quinoxalin-6-yl]butanamide
CID 162598096
2-[4-[2-[amino-[(E)-2-amino-2-chloroethenyl]amino]-5-chlorophenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(cyclopropylmethyl)indazol-5-yl]butanamide
CID 155468295
4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one
CID 147759758
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?
The IUPAC name of 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide (CID 135205719) is 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?
The canonical SMILES for 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide is CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(C(F)(F)F)on2)cc1=O.
What is the InChIKey of 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?
The InChIKey is KLVMLPOMRPNVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF3N5O4/c1-4-23(27(39)33-17-6-8-21-15(9-17)13-36(2)34-21)37-14-24(40-3)20(11-26(37)38)19-10-16(29)5-7-18(19)22-12-25(41-35-22)28(30,31)32/h5-14,23H,4H2,1-3H3,(H,33,39).
What are the key properties of 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?
2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide has a molecular weight of 585.97 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide is sourced from PubChem (CID 135205719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).