7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one

C27H24F4N4O — CID 174278788

IUPAC7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
SMILESCc1cnc2cc([C@@H]3CC[C@H](c4c(C)cccc4F)C3)c(=O)n(Cc3ncccc3C(F)(F)F)c2n1
InChIInChI=1S/C27H24F4N4O/c1-15-5-3-7-21(28)24(15)18-9-8-17(11-18)19-12-22-25(34-16(2)13-33-22)35(26(19)36)14-23-20(27(29,30)31)6-4-10-32-23/h3-7,10,12-13,17-18H,8-9,11,14H2,1-2H3/t17-,18+/m1/s1
InChIKeyXYMSNOXUVXJMOP-MSOLQXFVSA-N
MW496.51 g/mol
LogP6.06
Rot. Bonds4

About 7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one

7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 174278788) has the molecular formula C27H24F4N4O and a molecular weight of 496.51 g/mol. Its IUPAC name is 7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
PubChem CID174278788
Molecular FormulaC27H24F4N4O
Molecular Weight496.51 g/mol
Exact Mass496.19
IUPAC Name7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
SMILESCc1cnc2cc([C@@H]3CC[C@H](c4c(C)cccc4F)C3)c(=O)n(Cc3ncccc3C(F)(F)F)c2n1
InChIInChI=1S/C27H24F4N4O/c1-15-5-3-7-21(28)24(15)18-9-8-17(11-18)19-12-22-25(34-16(2)13-33-22)35(26(19)36)14-23-20(27(29,30)31)6-4-10-32-23/h3-7,10,12-13,17-18H,8-9,11,14H2,1-2H3/t17-,18+/m1/s1
InChIKeyXYMSNOXUVXJMOP-MSOLQXFVSA-N
XLogP6.06
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.51
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 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) is 7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is Cc1cnc2cc([C@@H]3CC[C@H](c4c(C)cccc4F)C3)c(=O)n(Cc3ncccc3C(F)(F)F)c2n1.
What is the InChIKey of 7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The InChIKey is XYMSNOXUVXJMOP-MSOLQXFVSA-N. The full InChI is InChI=1S/C27H24F4N4O/c1-15-5-3-7-21(28)24(15)18-9-8-17(11-18)19-12-22-25(34-16(2)13-33-22)35(26(19)36)14-23-20(27(29,30)31)6-4-10-32-23/h3-7,10,12-13,17-18H,8-9,11,14H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of 7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 496.51 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174278788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).