4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one

C25H34N6O3 — CID 45270320

IUPAC4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCc1noc(C)c1-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
InChIInChI=1S/C25H34N6O3/c1-17-22(18(2)34-29-17)20-8-9-21-24(28-20)31(16-19-6-4-3-5-7-19)25(32)23(27-21)26-10-11-30-12-14-33-15-13-30/h8-9,19H,3-7,10-16H2,1-2H3,(H,26,27)
InChIKeyHYXSOCPVVNKWLZ-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.39
Rot. Bonds7

About 4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one

4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45270320) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID45270320
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Name4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCc1noc(C)c1-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
InChIInChI=1S/C25H34N6O3/c1-17-22(18(2)34-29-17)20-8-9-21-24(28-20)31(16-19-6-4-3-5-7-19)25(32)23(27-21)26-10-11-30-12-14-33-15-13-30/h8-9,19H,3-7,10-16H2,1-2H3,(H,26,27)
InChIKeyHYXSOCPVVNKWLZ-UHFFFAOYSA-N
XLogP3.39
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (CID 45270320) is 4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is Cc1noc(C)c1-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is HYXSOCPVVNKWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-17-22(18(2)34-29-17)20-8-9-21-24(28-20)31(16-19-6-4-3-5-7-19)25(32)23(27-21)26-10-11-30-12-14-33-15-13-30/h8-9,19H,3-7,10-16H2,1-2H3,(H,26,27).
What are the key properties of 4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 466.59 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45270320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).