7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one

C28H28F3N5O2 — CID 174279401

IUPAC7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
SMILESCOc1nccc(C)c1C1CCC(c2cc3ncc(C)nc3n(Cc3ncccc3C(F)(F)F)c2=O)CC1
InChIInChI=1S/C28H28F3N5O2/c1-16-10-12-33-26(38-3)24(16)19-8-6-18(7-9-19)20-13-22-25(35-17(2)14-34-22)36(27(20)37)15-23-21(28(29,30)31)5-4-11-32-23/h4-5,10-14,18-19H,6-9,15H2,1-3H3
InChIKeyDBGIMKWOZVLHRW-UHFFFAOYSA-N
MW523.56 g/mol
LogP5.72
Rot. Bonds5

About 7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one

7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 174279401) has the molecular formula C28H28F3N5O2 and a molecular weight of 523.56 g/mol. Its IUPAC name is 7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
PubChem CID174279401
Molecular FormulaC28H28F3N5O2
Molecular Weight523.56 g/mol
Exact Mass523.22
IUPAC Name7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
SMILESCOc1nccc(C)c1C1CCC(c2cc3ncc(C)nc3n(Cc3ncccc3C(F)(F)F)c2=O)CC1
InChIInChI=1S/C28H28F3N5O2/c1-16-10-12-33-26(38-3)24(16)19-8-6-18(7-9-19)20-13-22-25(35-17(2)14-34-22)36(27(20)37)15-23-21(28(29,30)31)5-4-11-32-23/h4-5,10-14,18-19H,6-9,15H2,1-3H3
InChIKeyDBGIMKWOZVLHRW-UHFFFAOYSA-N
XLogP5.72
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.56
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 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) is 7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is COc1nccc(C)c1C1CCC(c2cc3ncc(C)nc3n(Cc3ncccc3C(F)(F)F)c2=O)CC1.
What is the InChIKey of 7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The InChIKey is DBGIMKWOZVLHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O2/c1-16-10-12-33-26(38-3)24(16)19-8-6-18(7-9-19)20-13-22-25(35-17(2)14-34-22)36(27(20)37)15-23-21(28(29,30)31)5-4-11-32-23/h4-5,10-14,18-19H,6-9,15H2,1-3H3.
What are the key properties of 7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 523.56 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-methoxy-4-methyl-3-pyridinyl)cyclohexyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174279401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).