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

C15H19FN4O — CID 176951106

IUPAC8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCc1ncc2c(N3CCCCC(C)C3)nc(=O)[nH]c2c1F
InChIInChI=1S/C15H19FN4O/c1-9-5-3-4-6-20(8-9)14-11-7-17-10(2)12(16)13(11)18-15(21)19-14/h7,9H,3-6,8H2,1-2H3,(H,18,19,21)
InChIKeyATOLPYRCKMBUTL-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.39
Rot. Bonds1

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

8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 176951106) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID176951106
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCc1ncc2c(N3CCCCC(C)C3)nc(=O)[nH]c2c1F
InChIInChI=1S/C15H19FN4O/c1-9-5-3-4-6-20(8-9)14-11-7-17-10(2)12(16)13(11)18-15(21)19-14/h7,9H,3-6,8H2,1-2H3,(H,18,19,21)
InChIKeyATOLPYRCKMBUTL-UHFFFAOYSA-N
XLogP2.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-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
1-[2-(2-Ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one
CID 57260571
N-(2-fluoro-3-methyl-2,3-dihydropyridin-6-yl)-2-methyl-5-(methyliminomethyl)pyridin-4-amine
CID 148445873
8-fluoro-7-methyl-4-(6-methyl-1,4-oxazepan-4-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951078
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-[(1S,6R,7S)-7-fluoro-2-azabicyclo[4.1.0]heptan-2-yl]-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951340
4-(2-azabicyclo[4.1.0]heptan-2-yl)-7-chloro-8-fluoro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951423
7-chloro-8-fluoro-4-[(6S)-7-fluoro-2-azabicyclo[4.1.0]heptan-2-yl]-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951692
8-Fluoropyrido[4,3-d]pyrimidin-2-ol
CID 135394106
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-8-fluoro-4-(7-fluoro-2-azabicyclo[4.1.0]heptan-2-yl)-1H-pyrido[4,3-d]pyrimidin-2-one
CID 176951058

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one (CID 176951106) is 8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one is Cc1ncc2c(N3CCCCC(C)C3)nc(=O)[nH]c2c1F.
What is the InChIKey of 8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is ATOLPYRCKMBUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-9-5-3-4-6-20(8-9)14-11-7-17-10(2)12(16)13(11)18-15(21)19-14/h7,9H,3-6,8H2,1-2H3,(H,18,19,21).
What are the key properties of 8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one?
8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 290.34 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methyl-4-(3-methylazepan-1-yl)-1H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 176951106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).