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

C25H24FN5O2 — CID 45268626

IUPAC6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cccnc1
InChIInChI=1S/C25H24FN5O2/c26-20-5-3-19(4-6-20)21-7-8-22-24(30-21)31(16-18-2-1-11-27-14-18)25(32)23(29-22)28-15-17-9-12-33-13-10-17/h1-8,11,14,17H,9-10,12-13,15-16H2,(H,28,29)
InChIKeyPYJDJIBVZMGRGU-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.88
Rot. Bonds6

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

6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45268626) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID45268626
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cccnc1
InChIInChI=1S/C25H24FN5O2/c26-20-5-3-19(4-6-20)21-7-8-22-24(30-21)31(16-18-2-1-11-27-14-18)25(32)23(29-22)28-15-17-9-12-33-13-10-17/h1-8,11,14,17H,9-10,12-13,15-16H2,(H,28,29)
InChIKeyPYJDJIBVZMGRGU-UHFFFAOYSA-N
XLogP3.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one (CID 45268626) is 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one is O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cccnc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is PYJDJIBVZMGRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-20-5-3-19(4-6-20)21-7-8-22-24(30-21)31(16-18-2-1-11-27-14-18)25(32)23(29-22)28-15-17-9-12-33-13-10-17/h1-8,11,14,17H,9-10,12-13,15-16H2,(H,28,29).
What are the key properties of 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 445.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45268626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).