(3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone

C20H16N4O2 — CID 72548453

IUPAC(3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone
SMILESCOc1cccc(C(=O)c2cc3cc(-c4cnn(C)c4)cnc3cn2)c1
InChIInChI=1S/C20H16N4O2/c1-24-12-16(10-23-24)15-6-14-8-18(22-11-19(14)21-9-15)20(25)13-4-3-5-17(7-13)26-2/h3-12H,1-2H3
InChIKeyJHJAFTDZUFLAPF-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.27
Rot. Bonds4

About (3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone

(3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone (PubChem CID 72548453) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone
PubChem CID72548453
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone
SMILESCOc1cccc(C(=O)c2cc3cc(-c4cnn(C)c4)cnc3cn2)c1
InChIInChI=1S/C20H16N4O2/c1-24-12-16(10-23-24)15-6-14-8-18(22-11-19(14)21-9-15)20(25)13-4-3-5-17(7-13)26-2/h3-12H,1-2H3
InChIKeyJHJAFTDZUFLAPF-UHFFFAOYSA-N
XLogP3.27
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone (CID 72548453) is (3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone is COc1cccc(C(=O)c2cc3cc(-c4cnn(C)c4)cnc3cn2)c1.
What is the InChIKey of (3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone?
The InChIKey is JHJAFTDZUFLAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-12-16(10-23-24)15-6-14-8-18(22-11-19(14)21-9-15)20(25)13-4-3-5-17(7-13)26-2/h3-12H,1-2H3.
What are the key properties of (3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone?
(3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone has a molecular weight of 344.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]methanone is sourced from PubChem (CID 72548453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).