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

C26H33N5O3 — CID 45267764

IUPAC4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1
InChIInChI=1S/C26H33N5O3/c1-33-23-10-7-20(16-27-23)21-8-9-22-25(30-21)31(17-19-5-3-2-4-6-19)26(32)24(29-22)28-15-18-11-13-34-14-12-18/h7-10,16,18-19H,2-6,11-15,17H2,1H3,(H,28,29)
InChIKeyIZULAWQINDWBJJ-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.28
Rot. Bonds7

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

4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45267764) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID45267764
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1
InChIInChI=1S/C26H33N5O3/c1-33-23-10-7-20(16-27-23)21-8-9-22-25(30-21)31(17-19-5-3-2-4-6-19)26(32)24(29-22)28-15-18-11-13-34-14-12-18/h7-10,16,18-19H,2-6,11-15,17H2,1H3,(H,28,29)
InChIKeyIZULAWQINDWBJJ-UHFFFAOYSA-N
XLogP4.28
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (CID 45267764) is 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is COc1ccc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is IZULAWQINDWBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-33-23-10-7-20(16-27-23)21-8-9-22-25(30-21)31(17-19-5-3-2-4-6-19)26(32)24(29-22)28-15-18-11-13-34-14-12-18/h7-10,16,18-19H,2-6,11-15,17H2,1H3,(H,28,29).
What are the key properties of 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 463.58 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45267764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).