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

C26H34N6O3 — CID 45269493

IUPAC4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-c2ccc3nc(NCCN4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1
InChIInChI=1S/C26H34N6O3/c1-34-23-10-7-20(17-28-23)21-8-9-22-25(30-21)32(18-19-5-3-2-4-6-19)26(33)24(29-22)27-11-12-31-13-15-35-16-14-31/h7-10,17,19H,2-6,11-16,18H2,1H3,(H,27,29)
InChIKeyHOMJGWXHCJJBEQ-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.19
Rot. Bonds8

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

4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45269493) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID45269493
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-c2ccc3nc(NCCN4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1
InChIInChI=1S/C26H34N6O3/c1-34-23-10-7-20(17-28-23)21-8-9-22-25(30-21)32(18-19-5-3-2-4-6-19)26(33)24(29-22)27-11-12-31-13-15-35-16-14-31/h7-10,17,19H,2-6,11-16,18H2,1H3,(H,27,29)
InChIKeyHOMJGWXHCJJBEQ-UHFFFAOYSA-N
XLogP3.19
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (CID 45269493) is 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is COc1ccc(-c2ccc3nc(NCCN4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is HOMJGWXHCJJBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-34-23-10-7-20(17-28-23)21-8-9-22-25(30-21)32(18-19-5-3-2-4-6-19)26(33)24(29-22)27-11-12-31-13-15-35-16-14-31/h7-10,17,19H,2-6,11-16,18H2,1H3,(H,27,29).
What are the key properties of 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 478.60 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45269493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).