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

C20H18F2N4O — CID 121455949

IUPAC6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C20H18F2N4O/c1-2-27-18-10-14(9-15(21)19(18)22)26-8-6-16-13(12-26)11-24-20(25-16)17-5-3-4-7-23-17/h3-5,7,9-11H,2,6,8,12H2,1H3
InChIKeyVCEMIBCAKMUFQD-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.78
Rot. Bonds4

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

6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455949) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455949
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C20H18F2N4O/c1-2-27-18-10-14(9-15(21)19(18)22)26-8-6-16-13(12-26)11-24-20(25-16)17-5-3-4-7-23-17/h3-5,7,9-11H,2,6,8,12H2,1H3
InChIKeyVCEMIBCAKMUFQD-UHFFFAOYSA-N
XLogP3.78
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455949) is 6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F.
What is the InChIKey of 6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VCEMIBCAKMUFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-2-27-18-10-14(9-15(21)19(18)22)26-8-6-16-13(12-26)11-24-20(25-16)17-5-3-4-7-23-17/h3-5,7,9-11H,2,6,8,12H2,1H3.
What are the key properties of 6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 368.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxy-4,5-difluorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).