8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one

C14H17FN4O2 — CID 176951078

IUPAC8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCc1ncc2c(N3CCOCC(C)C3)nc(=O)[nH]c2c1F
InChIInChI=1S/C14H17FN4O2/c1-8-6-19(3-4-21-7-8)13-10-5-16-9(2)11(15)12(10)17-14(20)18-13/h5,8H,3-4,6-7H2,1-2H3,(H,17,18,20)
InChIKeyUBFYXWLNOWUXEE-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.24
Rot. Bonds1

About 8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one

8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 176951078) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID176951078
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCc1ncc2c(N3CCOCC(C)C3)nc(=O)[nH]c2c1F
InChIInChI=1S/C14H17FN4O2/c1-8-6-19(3-4-21-7-8)13-10-5-16-9(2)11(15)12(10)17-14(20)18-13/h5,8H,3-4,6-7H2,1-2H3,(H,17,18,20)
InChIKeyUBFYXWLNOWUXEE-UHFFFAOYSA-N
XLogP1.24
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one with MolForge

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Related Compounds

7-chloro-8-fluoro-4-[(1S,7R)-8-fluoro-8lambda3-ioda-2-oxa-6-azabicyclo[5.1.0]octan-6-yl]-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176950910
7-chloro-8-fluoro-4-[(1R,7S)-5-oxa-2-azabicyclo[5.1.0]octan-2-yl]-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176950962
7-chloro-8-fluoro-4-[(8S)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octan-2-yl]-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951052
8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951106
4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951269
7-chloro-8-fluoro-4-[(7R,8S)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octan-2-yl]-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951355
7-chloro-8-fluoro-4-[(7R,8R)-8-fluoro-5-oxa-2-azabicyclo[5.1.0]octan-2-yl]-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951596
7-chloro-8-fluoro-4-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951749
8-fluoro-4-(8-fluoro-2-oxa-6-azabicyclo[5.1.0]octan-6-yl)-7-methyl-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176950873
7-chloro-8-fluoro-4-(2-fluoro-3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176950903
7-chloro-4-(8,8-difluoro-5-oxa-2-azabicyclo[5.1.0]octan-2-yl)-8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176950985
7-chloro-4-[(1S,7S)-8,8-difluoro-5-oxa-2-azabicyclo[5.1.0]octan-2-yl]-8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951282

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one (CID 176951078) is 8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one is Cc1ncc2c(N3CCOCC(C)C3)nc(=O)[nH]c2c1F.
What is the InChIKey of 8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is UBFYXWLNOWUXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-8-6-19(3-4-21-7-8)13-10-5-16-9(2)11(15)12(10)17-14(20)18-13/h5,8H,3-4,6-7H2,1-2H3,(H,17,18,20).
What are the key properties of 8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one?
8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 292.31 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 176951078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).