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

C20H21FN4O — CID 45270308

IUPAC2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one
SMILESNc1nc2ccc(-c3ccc(F)cc3)nc2n(CC2CCCCC2)c1=O
InChIInChI=1S/C20H21FN4O/c21-15-8-6-14(7-9-15)16-10-11-17-19(24-16)25(20(26)18(22)23-17)12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H2,22,23)
InChIKeyBFNPJAQSOHVLRB-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.76
Rot. Bonds3

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

2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45270308) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID45270308
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one
SMILESNc1nc2ccc(-c3ccc(F)cc3)nc2n(CC2CCCCC2)c1=O
InChIInChI=1S/C20H21FN4O/c21-15-8-6-14(7-9-15)16-10-11-17-19(24-16)25(20(26)18(22)23-17)12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H2,22,23)
InChIKeyBFNPJAQSOHVLRB-UHFFFAOYSA-N
XLogP3.76
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one (CID 45270308) is 2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one is Nc1nc2ccc(-c3ccc(F)cc3)nc2n(CC2CCCCC2)c1=O.
What is the InChIKey of 2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is BFNPJAQSOHVLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-15-8-6-14(7-9-15)16-10-11-17-19(24-16)25(20(26)18(22)23-17)12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H2,22,23).
What are the key properties of 2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one?
2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 352.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45270308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).