7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone

C20H16FN3O2 — CID 72719463

IUPAC7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone
SMILESO=C(c1cccc(Oc2ccc(F)cc2)c1)N1CCc2ncncc2C1
InChIInChI=1S/C20H16FN3O2/c21-16-4-6-17(7-5-16)26-18-3-1-2-14(10-18)20(25)24-9-8-19-15(12-24)11-22-13-23-19/h1-7,10-11,13H,8-9,12H2
InChIKeyDNKOHRSTHSPEDX-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.61
Rot. Bonds3

About 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone

7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone (PubChem CID 72719463) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone
PubChem CID72719463
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone
SMILESO=C(c1cccc(Oc2ccc(F)cc2)c1)N1CCc2ncncc2C1
InChIInChI=1S/C20H16FN3O2/c21-16-4-6-17(7-5-16)26-18-3-1-2-14(10-18)20(25)24-9-8-19-15(12-24)11-22-13-23-19/h1-7,10-11,13H,8-9,12H2
InChIKeyDNKOHRSTHSPEDX-UHFFFAOYSA-N
XLogP3.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

p-(18F)MPPF
CID 5352127
4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
2-(Methylamino)pyrimidine 58
CID 16108997
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
3-Methoxyphenyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 3238602
(4-Pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone
CID 15951399
N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide
CID 44602984
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
4-[2-(4-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 57399506

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone?
The IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone (CID 72719463) is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone.
What is the SMILES notation for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone?
The canonical SMILES for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone is O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CCc2ncncc2C1.
What is the InChIKey of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone?
The InChIKey is DNKOHRSTHSPEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-16-4-6-17(7-5-16)26-18-3-1-2-14(10-18)20(25)24-9-8-19-15(12-24)11-22-13-23-19/h1-7,10-11,13H,8-9,12H2.
What are the key properties of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone?
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone has a molecular weight of 349.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(4-fluorophenoxy)phenyl]methanone is sourced from PubChem (CID 72719463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).