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

C19H17FN4O — CID 121455911

IUPAC6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(F)cc(N2CCc3nc(-c4ccccn4)ncc3C2)c1
InChIInChI=1S/C19H17FN4O/c1-25-16-9-14(20)8-15(10-16)24-7-5-17-13(12-24)11-22-19(23-17)18-4-2-3-6-21-18/h2-4,6,8-11H,5,7,12H2,1H3
InChIKeySZWAYSSLAADNMR-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.25
Rot. Bonds3

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

6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455911) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455911
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(F)cc(N2CCc3nc(-c4ccccn4)ncc3C2)c1
InChIInChI=1S/C19H17FN4O/c1-25-16-9-14(20)8-15(10-16)24-7-5-17-13(12-24)11-22-19(23-17)18-4-2-3-6-21-18/h2-4,6,8-11H,5,7,12H2,1H3
InChIKeySZWAYSSLAADNMR-UHFFFAOYSA-N
XLogP3.25
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455911) is 6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(F)cc(N2CCc3nc(-c4ccccn4)ncc3C2)c1.
What is the InChIKey of 6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is SZWAYSSLAADNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-25-16-9-14(20)8-15(10-16)24-7-5-17-13(12-24)11-22-19(23-17)18-4-2-3-6-21-18/h2-4,6,8-11H,5,7,12H2,1H3.
What are the key properties of 6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 336.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).