6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C27H33N5O4 — CID 91184349

IUPAC6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC(CCc1ccc2c(n1)NC(=O)CO2)C1CCC(COc2ccnc3ncc(=O)n(C)c23)CC1
InChIInChI=1S/C27H33N5O4/c1-3-18(8-9-20-10-11-22-26(30-20)31-23(33)16-36-22)19-6-4-17(5-7-19)15-35-21-12-13-28-27-25(21)32(2)24(34)14-29-27/h10-14,17-19H,3-9,15-16H2,1-2H3,(H,30,31,33)
InChIKeyVAZAXQGPVCKMSZ-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.90
Rot. Bonds8

About 6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 91184349) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID91184349
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC(CCc1ccc2c(n1)NC(=O)CO2)C1CCC(COc2ccnc3ncc(=O)n(C)c23)CC1
InChIInChI=1S/C27H33N5O4/c1-3-18(8-9-20-10-11-22-26(30-20)31-23(33)16-36-22)19-6-4-17(5-7-19)15-35-21-12-13-28-27-25(21)32(2)24(34)14-29-27/h10-14,17-19H,3-9,15-16H2,1-2H3,(H,30,31,33)
InChIKeyVAZAXQGPVCKMSZ-UHFFFAOYSA-N
XLogP3.90
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 91184349) is 6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is CCC(CCc1ccc2c(n1)NC(=O)CO2)C1CCC(COc2ccnc3ncc(=O)n(C)c23)CC1.
What is the InChIKey of 6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VAZAXQGPVCKMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-3-18(8-9-20-10-11-22-26(30-20)31-23(33)16-36-22)19-6-4-17(5-7-19)15-35-21-12-13-28-27-25(21)32(2)24(34)14-29-27/h10-14,17-19H,3-9,15-16H2,1-2H3,(H,30,31,33).
What are the key properties of 6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 491.59 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 91184349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).