4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one

C25H32N6O3 — CID 45273827

IUPAC4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ncc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1
InChIInChI=1S/C25H32N6O3/c1-33-25-27-14-19(15-28-25)20-7-8-21-23(30-20)31(16-18-5-3-2-4-6-18)24(32)22(29-21)26-13-17-9-11-34-12-10-17/h7-8,14-15,17-18H,2-6,9-13,16H2,1H3,(H,26,29)
InChIKeyZAQHYCXHOUDTOR-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.68
Rot. Bonds7

About 4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one

4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45273827) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID45273827
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ncc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1
InChIInChI=1S/C25H32N6O3/c1-33-25-27-14-19(15-28-25)20-7-8-21-23(30-20)31(16-18-5-3-2-4-6-18)24(32)22(29-21)26-13-17-9-11-34-12-10-17/h7-8,14-15,17-18H,2-6,9-13,16H2,1H3,(H,26,29)
InChIKeyZAQHYCXHOUDTOR-UHFFFAOYSA-N
XLogP3.68
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (CID 45273827) is 4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is COc1ncc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZAQHYCXHOUDTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-33-25-27-14-19(15-28-25)20-7-8-21-23(30-20)31(16-18-5-3-2-4-6-18)24(32)22(29-21)26-13-17-9-11-34-12-10-17/h7-8,14-15,17-18H,2-6,9-13,16H2,1H3,(H,26,29).
What are the key properties of 4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 464.57 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45273827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).