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

C19H16F2N4O — CID 121456023

IUPAC6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C19H16F2N4O/c1-26-17-9-13(8-14(20)18(17)21)25-7-5-15-12(11-25)10-23-19(24-15)16-4-2-3-6-22-16/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeyOIAGUCNCWHBDTG-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.39
Rot. Bonds3

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

6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121456023) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121456023
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C19H16F2N4O/c1-26-17-9-13(8-14(20)18(17)21)25-7-5-15-12(11-25)10-23-19(24-15)16-4-2-3-6-22-16/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeyOIAGUCNCWHBDTG-UHFFFAOYSA-N
XLogP3.39
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121456023) is 6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F.
What is the InChIKey of 6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is OIAGUCNCWHBDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-26-17-9-13(8-14(20)18(17)21)25-7-5-15-12(11-25)10-23-19(24-15)16-4-2-3-6-22-16/h2-4,6,8-10H,5,7,11H2,1H3.
What are the key properties of 6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 354.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoro-5-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121456023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).