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

C19H16F2N4O — CID 121455987

IUPAC2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1cc(N2CCc3cc(-c4ncccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C19H16F2N4O/c1-26-17-9-14(8-15(20)18(17)21)25-6-3-12-7-16(24-10-13(12)11-25)19-22-4-2-5-23-19/h2,4-5,7-10H,3,6,11H2,1H3
InChIKeyJAZPCEARBCJCRU-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.39
Rot. Bonds3

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

2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 121455987) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID121455987
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1cc(N2CCc3cc(-c4ncccn4)ncc3C2)cc(F)c1F
InChIInChI=1S/C19H16F2N4O/c1-26-17-9-14(8-15(20)18(17)21)25-6-3-12-7-16(24-10-13(12)11-25)19-22-4-2-5-23-19/h2,4-5,7-10H,3,6,11H2,1H3
InChIKeyJAZPCEARBCJCRU-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 2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine (CID 121455987) is 2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine is COc1cc(N2CCc3cc(-c4ncccn4)ncc3C2)cc(F)c1F.
What is the InChIKey of 2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is JAZPCEARBCJCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-26-17-9-14(8-15(20)18(17)21)25-6-3-12-7-16(24-10-13(12)11-25)19-22-4-2-5-23-19/h2,4-5,7-10H,3,6,11H2,1H3.
What are the key properties of 2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine?
2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine 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 2-(3,4-difluoro-5-methoxyphenyl)-6-pyrimidin-2-yl-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 121455987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).