4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one

C16H21FN4O — CID 176951269

IUPAC4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCc1ncc2c(N3CCCCC(C)C3F)nc(=O)[nH]c2c1C
InChIInChI=1S/C16H21FN4O/c1-9-6-4-5-7-21(14(9)17)15-12-8-18-11(3)10(2)13(12)19-16(22)20-15/h8-9,14H,4-7H2,1-3H3,(H,19,20,22)
InChIKeyFGVYDQWXUHJQHB-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.86
Rot. Bonds1

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

4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 176951269) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID176951269
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCc1ncc2c(N3CCCCC(C)C3F)nc(=O)[nH]c2c1C
InChIInChI=1S/C16H21FN4O/c1-9-6-4-5-7-21(14(9)17)15-12-8-18-11(3)10(2)13(12)19-16(22)20-15/h8-9,14H,4-7H2,1-3H3,(H,19,20,22)
InChIKeyFGVYDQWXUHJQHB-UHFFFAOYSA-N
XLogP2.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

1-[(4-Fluoro-2-methyl-3-pyridinyl)methyl]-4-(methylamino)-1,3,5-triazin-2-one
CID 57107900
4,4-difluoro-N-methylidene-N'-[N'-[2-[3-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-yl]ethyl]-N-[2-(trifluoromethyl)-4-pyridinyl]carbamimidoyl]azepane-1-carboximidamide
CID 173805832
8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951078
8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951106
4-(2-azabicyclo[4.1.0]heptan-2-yl)-7-chloro-8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951423
N-[4-[[2-(1,1-difluoroethyl)-2-methyl-1H-pyrimidin-6-yl]amino]-5-(1-methyl-2H-pyrazin-1-ium-2-id-5-yl)-2-pyridinyl]acetamide
CID 170730763
7-chloro-8-fluoro-4-(2-fluoro-3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176950903
7-chloro-4-(2-fluoro-3-methylazepan-1-yl)-8-methyl-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951508
7-Methyl-4-(methylamino)-1-phenylpyrido[4,3-d]pyrimidin-2-one
CID 151454047
7,8-Dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium
CID 166490807
ethane;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 176950872
7-chloro-8-fluoro-4-(2-fluoro-3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one;ethane
CID 176950902

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one (CID 176951269) is 4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one is Cc1ncc2c(N3CCCCC(C)C3F)nc(=O)[nH]c2c1C.
What is the InChIKey of 4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is FGVYDQWXUHJQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-9-6-4-5-7-21(14(9)17)15-12-8-18-11(3)10(2)13(12)19-16(22)20-15/h8-9,14H,4-7H2,1-3H3,(H,19,20,22).
What are the key properties of 4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one?
4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 304.37 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylazepan-1-yl)-7,8-dimethyl-1H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 176951269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).