4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one

C27H33FN4O2 — CID 70318201

IUPAC4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C27H33FN4O2/c28-22-8-6-21(7-9-22)23-10-11-24-26(31-23)32(18-20-4-2-1-3-5-20)27(33)25(30-24)29-15-12-19-13-16-34-17-14-19/h6-11,19-20H,1-5,12-18H2,(H,29,30)
InChIKeyLXMFYXOCGZJKGV-UHFFFAOYSA-N
MW464.59 g/mol
LogP5.41
Rot. Bonds7

About 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one

4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one (PubChem CID 70318201) has the molecular formula C27H33FN4O2 and a molecular weight of 464.59 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one
PubChem CID70318201
Molecular FormulaC27H33FN4O2
Molecular Weight464.59 g/mol
Exact Mass464.26
IUPAC Name4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C27H33FN4O2/c28-22-8-6-21(7-9-22)23-10-11-24-26(31-23)32(18-20-4-2-1-3-5-20)27(33)25(30-24)29-15-12-19-13-16-34-17-14-19/h6-11,19-20H,1-5,12-18H2,(H,29,30)
InChIKeyLXMFYXOCGZJKGV-UHFFFAOYSA-N
XLogP5.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one (CID 70318201) is 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one is O=c1c(NCCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is LXMFYXOCGZJKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O2/c28-22-8-6-21(7-9-22)23-10-11-24-26(31-23)32(18-20-4-2-1-3-5-20)27(33)25(30-24)29-15-12-19-13-16-34-17-14-19/h6-11,19-20H,1-5,12-18H2,(H,29,30).
What are the key properties of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 464.59 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 70318201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).