4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide

C24H16F3N5O2S — CID 176741324

IUPAC4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide
SMILESC[C@H](NC(=O)c1cnc2c(c1)c1csnc1c(=O)n2-c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C24H16F3N5O2S/c1-13(19-4-2-3-9-28-19)30-22(33)14-10-17-18-12-35-31-20(18)23(34)32(21(17)29-11-14)16-7-5-15(6-8-16)24(25,26)27/h2-13H,1H3,(H,30,33)/t13-/m0/s1
InChIKeyGSGRXKYVIKVFSX-ZDUSSCGKSA-N
MW495.49 g/mol
LogP4.90
Rot. Bonds4

About 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide

4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide (PubChem CID 176741324) has the molecular formula C24H16F3N5O2S and a molecular weight of 495.49 g/mol. Its IUPAC name is 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide
PubChem CID176741324
Molecular FormulaC24H16F3N5O2S
Molecular Weight495.49 g/mol
Exact Mass495.10
IUPAC Name4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide
SMILESC[C@H](NC(=O)c1cnc2c(c1)c1csnc1c(=O)n2-c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C24H16F3N5O2S/c1-13(19-4-2-3-9-28-19)30-22(33)14-10-17-18-12-35-31-20(18)23(34)32(21(17)29-11-14)16-7-5-15(6-8-16)24(25,26)27/h2-13H,1H3,(H,30,33)/t13-/m0/s1
InChIKeyGSGRXKYVIKVFSX-ZDUSSCGKSA-N
XLogP4.90
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-acetyl-5-methyl-7-oxo-N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 176741321
3-bromo-2-chloro-4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]thieno[3,2-c][1,8]naphthyridine-8-carboxamide
CID 176741325
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide
CID 176741241
2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide
CID 176741221
N-[(1R,2S)-2-hydroxy-1-phenylpropyl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide
CID 166838154
N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide
CID 157037449
6-methoxy-N-(1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155213963
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1-[4-(trifluoromethyl)phenyl]isoquinoline-6-carboxamide
CID 166552466
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 175159865
N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide
CID 157038074
N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide
CID 176741227

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide?
The IUPAC name of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide (CID 176741324) is 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide.
What is the SMILES notation for 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide?
The canonical SMILES for 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide is C[C@H](NC(=O)c1cnc2c(c1)c1csnc1c(=O)n2-c1ccc(C(F)(F)F)cc1)c1ccccn1.
What is the InChIKey of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide?
The InChIKey is GSGRXKYVIKVFSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H16F3N5O2S/c1-13(19-4-2-3-9-28-19)30-22(33)14-10-17-18-12-35-31-20(18)23(34)32(21(17)29-11-14)16-7-5-15(6-8-16)24(25,26)27/h2-13H,1H3,(H,30,33)/t13-/m0/s1.
What are the key properties of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide?
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide has a molecular weight of 495.49 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide is sourced from PubChem (CID 176741324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).