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

C14H12FN3O — CID 90620866

IUPAC7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2ncncc2C1
InChIInChI=1S/C14H12FN3O/c15-12-3-1-10(2-4-12)14(19)18-6-5-13-11(8-18)7-16-9-17-13/h1-4,7,9H,5-6,8H2
InChIKeyNFQBYIRVRFHFHO-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.81
Rot. Bonds1

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

7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone (PubChem CID 90620866) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
PubChem CID90620866
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2ncncc2C1
InChIInChI=1S/C14H12FN3O/c15-12-3-1-10(2-4-12)14(19)18-6-5-13-11(8-18)7-16-9-17-13/h1-4,7,9H,5-6,8H2
InChIKeyNFQBYIRVRFHFHO-UHFFFAOYSA-N
XLogP1.81
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone?
The IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone (CID 90620866) is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone?
The canonical SMILES for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCc2ncncc2C1.
What is the InChIKey of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone?
The InChIKey is NFQBYIRVRFHFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-12-3-1-10(2-4-12)14(19)18-6-5-13-11(8-18)7-16-9-17-13/h1-4,7,9H,5-6,8H2.
What are the key properties of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone?
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone has a molecular weight of 257.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone is sourced from PubChem (CID 90620866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).