(3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone

C20H16N4O2 — CID 72548222

IUPAC(3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone
SMILESCOc1cccc(C(=O)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1
InChIInChI=1S/C20H16N4O2/c1-24-12-15(11-22-24)14-9-19-17(21-10-14)6-7-18(23-19)20(25)13-4-3-5-16(8-13)26-2/h3-12H,1-2H3
InChIKeyJAPFDEFTUXKOTH-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.27
Rot. Bonds4

About (3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone

(3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone (PubChem CID 72548222) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone
PubChem CID72548222
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone
SMILESCOc1cccc(C(=O)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1
InChIInChI=1S/C20H16N4O2/c1-24-12-15(11-22-24)14-9-19-17(21-10-14)6-7-18(23-19)20(25)13-4-3-5-16(8-13)26-2/h3-12H,1-2H3
InChIKeyJAPFDEFTUXKOTH-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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Related Compounds

[5-(3-Methoxy-5-methylphenyl)-4-(2-(4-acetylphenyl)pyridin-4-yl)-pyrazol-1-yl]acetonitrile
CID 45482655
[4-(2-(3-Acetylphenyl)pyridin-5-yl)-3-(3-methoxy-5-methylphenyl)-pyrazol-1-yl]acetonitrile
CID 45483024
(E)-1-(2,5-dimethoxyphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 40606425
2-[4-(Carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone
CID 155537639
N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
CID 164609805
4-[2-(2,4-Difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole
CID 46205833
8-Fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554849
8-Fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554855
8-Fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554870
7-[(6-Methoxy-3-pyridinyl)methyl]-4-(1-methyl-1H-pyrazol-4-yl)-2-quinolinecarboxamide
CID 89554921
(4-Fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone
CID 156810869
(E)-1-(4-(((1-(3-methoxybenzyl)-1H-1,2,3-triazol-4-yl)-methyl)amino)phenyl)-3-(pyridin-3-yl)prop-2-en-1-one
CID 132969045

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone (CID 72548222) is (3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone is COc1cccc(C(=O)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1.
What is the InChIKey of (3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone?
The InChIKey is JAPFDEFTUXKOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-12-15(11-22-24)14-9-19-17(21-10-14)6-7-18(23-19)20(25)13-4-3-5-16(8-13)26-2/h3-12H,1-2H3.
What are the key properties of (3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone?
(3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-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)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone is sourced from PubChem (CID 72548222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).