N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide

C24H16F3N5O3 — CID 166056938

IUPACN-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide
SMILESCNC(=O)c1c(-c2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3n2)[nH]c2ccccc2c1=O
InChIInChI=1S/C24H16F3N5O3/c1-28-23(34)19-20(29-17-5-3-2-4-16(17)21(19)33)22-30-18-11-8-14(12-32(18)31-22)13-6-9-15(10-7-13)35-24(25,26)27/h2-12H,1H3,(H,28,34)(H,29,33)
InChIKeyMVOPKEGOIBKLRY-UHFFFAOYSA-N
MW479.42 g/mol
LogP4.16
Rot. Bonds4

About N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide

N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide (PubChem CID 166056938) has the molecular formula C24H16F3N5O3 and a molecular weight of 479.42 g/mol. Its IUPAC name is N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide
PubChem CID166056938
Molecular FormulaC24H16F3N5O3
Molecular Weight479.42 g/mol
Exact Mass479.12
IUPAC NameN-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide
SMILESCNC(=O)c1c(-c2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3n2)[nH]c2ccccc2c1=O
InChIInChI=1S/C24H16F3N5O3/c1-28-23(34)19-20(29-17-5-3-2-4-16(17)21(19)33)22-30-18-11-8-14(12-32(18)31-22)13-6-9-15(10-7-13)35-24(25,26)27/h2-12H,1H3,(H,28,34)(H,29,33)
InChIKeyMVOPKEGOIBKLRY-UHFFFAOYSA-N
XLogP4.16
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide?
The IUPAC name of N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide (CID 166056938) is N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide?
The canonical SMILES for N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide is CNC(=O)c1c(-c2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3n2)[nH]c2ccccc2c1=O.
What is the InChIKey of N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide?
The InChIKey is MVOPKEGOIBKLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O3/c1-28-23(34)19-20(29-17-5-3-2-4-16(17)21(19)33)22-30-18-11-8-14(12-32(18)31-22)13-6-9-15(10-7-13)35-24(25,26)27/h2-12H,1H3,(H,28,34)(H,29,33).
What are the key properties of N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide?
N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide has a molecular weight of 479.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 166056938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).