cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one

C26H27F4N5O — CID 176552799

IUPACcyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one
SMILESC1CCCC1.Cc1cccc(F)c1.Cc1cnc2ccc(=O)n(Cc3nccnc3C(F)(F)F)c2n1
InChIInChI=1S/C14H10F3N5O.C7H7F.C5H10/c1-8-6-20-9-2-3-11(23)22(13(9)21-8)7-10-12(14(15,16)17)19-5-4-18-10;1-6-3-2-4-7(8)5-6;1-2-4-5-3-1/h2-6H,7H2,1H3;2-5H,1H3;1-5H2
InChIKeyJTUATZOYGZNXKC-UHFFFAOYSA-N
MW501.53 g/mol
LogP6.04
Rot. Bonds2

About cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one

cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 176552799) has the molecular formula C26H27F4N5O and a molecular weight of 501.53 g/mol. Its IUPAC name is cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Namecyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one
PubChem CID176552799
Molecular FormulaC26H27F4N5O
Molecular Weight501.53 g/mol
Exact Mass501.22
IUPAC Namecyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one
SMILESC1CCCC1.Cc1cccc(F)c1.Cc1cnc2ccc(=O)n(Cc3nccnc3C(F)(F)F)c2n1
InChIInChI=1S/C14H10F3N5O.C7H7F.C5H10/c1-8-6-20-9-2-3-11(23)22(13(9)21-8)7-10-12(14(15,16)17)19-5-4-18-10;1-6-3-2-4-7(8)5-6;1-2-4-5-3-1/h2-6H,7H2,1H3;2-5H,1H3;1-5H2
InChIKeyJTUATZOYGZNXKC-UHFFFAOYSA-N
XLogP6.04
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.53
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[(3-methylpyrazin-2-yl)methyl]pyrido[2,3-b]pyrazin-6-one
CID 176553022
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-cyclohexyl-3-(2,2-difluoroethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1-fluoro-3-methylbenzene
CID 176552817
3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174278623
3-cyclohexyl-7-methyl-1-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one;1-fluoro-3-methylbenzene
CID 176552746
7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole
CID 176552597
5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one
CID 174278695
4-cyclohexyl-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene
CID 177327858
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
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
7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;4-(1,1-difluoroethyl)pyridine
CID 176552556
4-cyclohexyl-6-(6-methylpyrimidin-4-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene
CID 177328171

Frequently Asked Questions

What is the IUPAC name of cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one (CID 176552799) is cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one is C1CCCC1.Cc1cccc(F)c1.Cc1cnc2ccc(=O)n(Cc3nccnc3C(F)(F)F)c2n1.
What is the InChIKey of cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one?
The InChIKey is JTUATZOYGZNXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O.C7H7F.C5H10/c1-8-6-20-9-2-3-11(23)22(13(9)21-8)7-10-12(14(15,16)17)19-5-4-18-10;1-6-3-2-4-7(8)5-6;1-2-4-5-3-1/h2-6H,7H2,1H3;2-5H,1H3;1-5H2.
What are the key properties of cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one?
cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 501.53 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;1-fluoro-3-methylbenzene;3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 176552799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).