4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one

C26H32FN5O2 — CID 45267744

IUPAC4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C26H32FN5O2/c27-21-8-6-20(7-9-21)22-10-11-23-25(30-22)32(18-19-4-2-1-3-5-19)26(33)24(29-23)28-12-13-31-14-16-34-17-15-31/h6-11,19H,1-5,12-18H2,(H,28,29)
InChIKeyNBVSDYOHEQKHOM-UHFFFAOYSA-N
MW465.57 g/mol
LogP3.92
Rot. Bonds7

About 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one

4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45267744) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID45267744
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C26H32FN5O2/c27-21-8-6-20(7-9-21)22-10-11-23-25(30-22)32(18-19-4-2-1-3-5-19)26(33)24(29-23)28-12-13-31-14-16-34-17-15-31/h6-11,19H,1-5,12-18H2,(H,28,29)
InChIKeyNBVSDYOHEQKHOM-UHFFFAOYSA-N
XLogP3.92
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (CID 45267744) is 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is O=c1c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is NBVSDYOHEQKHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c27-21-8-6-20(7-9-21)22-10-11-23-25(30-22)32(18-19-4-2-1-3-5-19)26(33)24(29-23)28-12-13-31-14-16-34-17-15-31/h6-11,19H,1-5,12-18H2,(H,28,29).
What are the key properties of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 465.57 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45267744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).