(3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C20H17FN4O2 — CID 139461134

IUPAC(3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCOc1ccc(C(=O)N2CCc3nc(-c4ccccn4)ncc3C2)cc1F
InChIInChI=1S/C20H17FN4O2/c1-27-18-6-5-13(10-15(18)21)20(26)25-9-7-16-14(12-25)11-23-19(24-16)17-4-2-3-8-22-17/h2-6,8,10-11H,7,9,12H2,1H3
InChIKeyAEKYRPNKOLFLSR-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.88
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

(3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 139461134) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID139461134
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCOc1ccc(C(=O)N2CCc3nc(-c4ccccn4)ncc3C2)cc1F
InChIInChI=1S/C20H17FN4O2/c1-27-18-6-5-13(10-15(18)21)20(26)25-9-7-16-14(12-25)11-23-19(24-16)17-4-2-3-8-22-17/h2-6,8,10-11H,7,9,12H2,1H3
InChIKeyAEKYRPNKOLFLSR-UHFFFAOYSA-N
XLogP2.88
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone with MolForge

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Related Compounds

6-[1-(4-ethoxy-3-fluorophenyl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 142341730
(3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 142341724
2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol
CID 142341721
6-(3-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121455953
(4-fluorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 53146954
6-[1-(4-methylthiophen-2-yl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 142341739
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone
CID 70840492
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-fluoro-3-methylphenyl)methanone
CID 63213138
(4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 63188563
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
(5R)-6-(3,4-difluoro-5-methoxyphenyl)-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(5S)-6-(3,4-difluoro-5-methoxyphenyl)-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158354926
(3-fluoro-4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808459

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 139461134) is (3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is COc1ccc(C(=O)N2CCc3nc(-c4ccccn4)ncc3C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is AEKYRPNKOLFLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-27-18-6-5-13(10-15(18)21)20(26)25-9-7-16-14(12-25)11-23-19(24-16)17-4-2-3-8-22-17/h2-6,8,10-11H,7,9,12H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 364.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 139461134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).