(3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C14H15F3N4O — CID 141203207

IUPAC(3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCN1C=CN(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C14H15F3N4O/c1-19-4-5-21(9-19)13(22)20-3-2-12-10(8-20)6-11(7-18-12)14(15,16)17/h4-7H,2-3,8-9H2,1H3
InChIKeyQSVOAFMWMVEQLD-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.25
Rot. Bonds

About (3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

(3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 141203207) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is (3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID141203207
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name(3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCN1C=CN(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C14H15F3N4O/c1-19-4-5-21(9-19)13(22)20-3-2-12-10(8-20)6-11(7-18-12)14(15,16)17/h4-7H,2-3,8-9H2,1H3
InChIKeyQSVOAFMWMVEQLD-UHFFFAOYSA-N
XLogP2.25
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 174750188
CID 59700291
CID 59700291
(2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one
CID 142826664
(1-propan-2-ylcyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 70960555
3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine
CID 118528088
[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 142826595
(3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane
CID 143080637
[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane
CID 142826594
1-(benzotriazol-1-yl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethane-1,2-dione
CID 59764797
cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane
CID 142976828
1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone
CID 59766994
tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate
CID 142826460

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of (3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 141203207) is (3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for (3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for (3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CN1C=CN(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.
What is the InChIKey of (3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is QSVOAFMWMVEQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-19-4-5-21(9-19)13(22)20-3-2-12-10(8-20)6-11(7-18-12)14(15,16)17/h4-7H,2-3,8-9H2,1H3.
What are the key properties of (3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
(3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 312.30 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 141203207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).