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

C21H20F2N4O — CID 121455936

IUPAC6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C21H20F2N4O/c1-2-9-28-19-11-15(10-16(22)20(19)23)27-8-6-17-14(13-27)12-25-21(26-17)18-5-3-4-7-24-18/h3-5,7,10-12H,2,6,8-9,13H2,1H3
InChIKeyVSOOTTWGKKEBFV-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.17
Rot. Bonds5

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

6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455936) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455936
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C21H20F2N4O/c1-2-9-28-19-11-15(10-16(22)20(19)23)27-8-6-17-14(13-27)12-25-21(26-17)18-5-3-4-7-24-18/h3-5,7,10-12H,2,6,8-9,13H2,1H3
InChIKeyVSOOTTWGKKEBFV-UHFFFAOYSA-N
XLogP4.17
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.17
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-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455936) is 6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)cc(F)c1F.
What is the InChIKey of 6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VSOOTTWGKKEBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-2-9-28-19-11-15(10-16(22)20(19)23)27-8-6-17-14(13-27)12-25-21(26-17)18-5-3-4-7-24-18/h3-5,7,10-12H,2,6,8-9,13H2,1H3.
What are the key properties of 6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3,4-difluoro-5-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 382.41 g/mol, XLogP of 4.17, 5 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-propoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).