3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one

C23H17FN6O — CID 167366666

IUPAC3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one
SMILESCc1nc(-c2[nH]ncc2-c2ccc3ncc(-c4cccn(C)c4=O)cc3n2)ccc1F
InChIInChI=1S/C23H17FN6O/c1-13-17(24)5-6-20(27-13)22-16(12-26-29-22)18-7-8-19-21(28-18)10-14(11-25-19)15-4-3-9-30(2)23(15)31/h3-12H,1-2H3,(H,26,29)
InChIKeySDUOGNNNODNYJF-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.90
Rot. Bonds3

About 3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one

3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one (PubChem CID 167366666) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is 3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one
PubChem CID167366666
Molecular FormulaC23H17FN6O
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC Name3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one
SMILESCc1nc(-c2[nH]ncc2-c2ccc3ncc(-c4cccn(C)c4=O)cc3n2)ccc1F
InChIInChI=1S/C23H17FN6O/c1-13-17(24)5-6-20(27-13)22-16(12-26-29-22)18-7-8-19-21(28-18)10-14(11-25-19)15-4-3-9-30(2)23(15)31/h3-12H,1-2H3,(H,26,29)
InChIKeySDUOGNNNODNYJF-UHFFFAOYSA-N
XLogP3.90
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one (CID 167366666) is 3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one is Cc1nc(-c2[nH]ncc2-c2ccc3ncc(-c4cccn(C)c4=O)cc3n2)ccc1F.
What is the InChIKey of 3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?
The InChIKey is SDUOGNNNODNYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O/c1-13-17(24)5-6-20(27-13)22-16(12-26-29-22)18-7-8-19-21(28-18)10-14(11-25-19)15-4-3-9-30(2)23(15)31/h3-12H,1-2H3,(H,26,29).
What are the key properties of 3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?
3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one has a molecular weight of 412.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 167366666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).