4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one

C25H36N6O3 — CID 143411031

IUPAC4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESC/C=C(C(/C)=N\O)\c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
InChIInChI=1S/C25H36N6O3/c1-3-20(18(2)29-33)21-9-10-22-24(28-21)31(17-19-7-5-4-6-8-19)25(32)23(27-22)26-11-12-30-13-15-34-16-14-30/h3,9-10,19,33H,4-8,11-17H2,1-2H3,(H,26,27)/b20-3-,29-18-
InChIKeyYNUUJIIDAZCKCJ-OWUWBSCTSA-N
MW468.60 g/mol
LogP3.37
Rot. Bonds8

About 4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one

4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 143411031) has the molecular formula C25H36N6O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID143411031
Molecular FormulaC25H36N6O3
Molecular Weight468.60 g/mol
Exact Mass468.28
IUPAC Name4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESC/C=C(C(/C)=N\O)\c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
InChIInChI=1S/C25H36N6O3/c1-3-20(18(2)29-33)21-9-10-22-24(28-21)31(17-19-7-5-4-6-8-19)25(32)23(27-22)26-11-12-30-13-15-34-16-14-30/h3,9-10,19,33H,4-8,11-17H2,1-2H3,(H,26,27)/b20-3-,29-18-
InChIKeyYNUUJIIDAZCKCJ-OWUWBSCTSA-N
XLogP3.37
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (CID 143411031) is 4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is C/C=C(C(/C)=N\O)\c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1.
What is the InChIKey of 4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is YNUUJIIDAZCKCJ-OWUWBSCTSA-N. The full InChI is InChI=1S/C25H36N6O3/c1-3-20(18(2)29-33)21-9-10-22-24(28-21)31(17-19-7-5-4-6-8-19)25(32)23(27-22)26-11-12-30-13-15-34-16-14-30/h3,9-10,19,33H,4-8,11-17H2,1-2H3,(H,26,27)/b20-3-,29-18-.
What are the key properties of 4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 468.60 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-[(E,4Z)-4-hydroxyiminopent-2-en-3-yl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 143411031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).