3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one

C30H29F4N3O — CID 174279488

IUPAC3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one
SMILESCc1ccc2cc(C3CCC(c4c(C)cccc4F)CC3)c(=O)n(Cc3ncccc3CC(F)(F)F)c2n1
InChIInChI=1S/C30H29F4N3O/c1-18-5-3-7-25(31)27(18)21-12-10-20(11-13-21)24-15-22-9-8-19(2)36-28(22)37(29(24)38)17-26-23(6-4-14-35-26)16-30(32,33)34/h3-9,14-15,20-21H,10-13,16-17H2,1-2H3
InChIKeyORGJFRKRLAWZEM-UHFFFAOYSA-N
MW523.57 g/mol
LogP7.14
Rot. Bonds5

About 3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one

3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one (PubChem CID 174279488) has the molecular formula C30H29F4N3O and a molecular weight of 523.57 g/mol. Its IUPAC name is 3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one
PubChem CID174279488
Molecular FormulaC30H29F4N3O
Molecular Weight523.57 g/mol
Exact Mass523.22
IUPAC Name3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one
SMILESCc1ccc2cc(C3CCC(c4c(C)cccc4F)CC3)c(=O)n(Cc3ncccc3CC(F)(F)F)c2n1
InChIInChI=1S/C30H29F4N3O/c1-18-5-3-7-25(31)27(18)21-12-10-20(11-13-21)24-15-22-9-8-19(2)36-28(22)37(29(24)38)17-26-23(6-4-14-35-26)16-30(32,33)34/h3-9,14-15,20-21H,10-13,16-17H2,1-2H3
InChIKeyORGJFRKRLAWZEM-UHFFFAOYSA-N
XLogP7.14
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.57
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one with MolForge

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Related Compounds

1-[[3-(1,1-difluoroethyl)-2-pyridinyl]methyl]-3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1,8-naphthyridin-2-one
CID 174279237
5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one
CID 174279486
3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174279647
7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174278788
3-cyclohexyl-7-methyl-1-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one;1-fluoro-3-methylbenzene
CID 176552746
7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174279013
7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174278111
4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-6-pyrimidin-4-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327586
7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174279401
4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-6-[6-(trifluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327968
6-ethoxy-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327529
4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177328279

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one?
The IUPAC name of 3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one (CID 174279488) is 3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one is Cc1ccc2cc(C3CCC(c4c(C)cccc4F)CC3)c(=O)n(Cc3ncccc3CC(F)(F)F)c2n1.
What is the InChIKey of 3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one?
The InChIKey is ORGJFRKRLAWZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F4N3O/c1-18-5-3-7-25(31)27(18)21-12-10-20(11-13-21)24-15-22-9-8-19(2)36-28(22)37(29(24)38)17-26-23(6-4-14-35-26)16-30(32,33)34/h3-9,14-15,20-21H,10-13,16-17H2,1-2H3.
What are the key properties of 3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one?
3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one has a molecular weight of 523.57 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 174279488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).