2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine

C20H17F2N3O — CID 121456095

IUPAC2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1cc(N2CCc3cc(-c4ccccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C20H17F2N3O/c1-26-19-10-15(9-16(21)20(19)22)25-7-5-13-8-18(24-11-14(13)12-25)17-4-2-3-6-23-17/h2-4,6,8-11H,5,7,12H2,1H3
InChIKeyOENXXNJAAZIRSZ-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.99
Rot. Bonds3

About 2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine

2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 121456095) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID121456095
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1cc(N2CCc3cc(-c4ccccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C20H17F2N3O/c1-26-19-10-15(9-16(21)20(19)22)25-7-5-13-8-18(24-11-14(13)12-25)17-4-2-3-6-23-17/h2-4,6,8-11H,5,7,12H2,1H3
InChIKeyOENXXNJAAZIRSZ-UHFFFAOYSA-N
XLogP3.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine (CID 121456095) is 2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine is COc1cc(N2CCc3cc(-c4ccccn4)ncc3C2)cc(F)c1F.
What is the InChIKey of 2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is OENXXNJAAZIRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-26-19-10-15(9-16(21)20(19)22)25-7-5-13-8-18(24-11-14(13)12-25)17-4-2-3-6-23-17/h2-4,6,8-11H,5,7,12H2,1H3.
What are the key properties of 2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine?
2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 353.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-5-methoxyphenyl)-6-pyridin-2-yl-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 121456095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).