6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one

C23H27FN4O2 — CID 45267756

IUPAC6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCC(C)Cn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C23H27FN4O2/c1-15(2)14-28-22-20(8-7-19(27-22)17-3-5-18(24)6-4-17)26-21(23(28)29)25-13-16-9-11-30-12-10-16/h3-8,15-16H,9-14H2,1-2H3,(H,25,26)
InChIKeyZVNZGJWVJFOWNR-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.09
Rot. Bonds6

About 6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one

6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45267756) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID45267756
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCC(C)Cn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C23H27FN4O2/c1-15(2)14-28-22-20(8-7-19(27-22)17-3-5-18(24)6-4-17)26-21(23(28)29)25-13-16-9-11-30-12-10-16/h3-8,15-16H,9-14H2,1-2H3,(H,25,26)
InChIKeyZVNZGJWVJFOWNR-UHFFFAOYSA-N
XLogP4.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (CID 45267756) is 6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is CC(C)Cn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21.
What is the InChIKey of 6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZVNZGJWVJFOWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-15(2)14-28-22-20(8-7-19(27-22)17-3-5-18(24)6-4-17)26-21(23(28)29)25-13-16-9-11-30-12-10-16/h3-8,15-16H,9-14H2,1-2H3,(H,25,26).
What are the key properties of 6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 410.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(2-methylpropyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45267756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).