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

C19H14N4O2 — CID 118333037

IUPAC(3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone
SMILESCn1cc(-c2cnc3ccc(C(=O)c4cccc(O)c4)nc3c2)cn1
InChIInChI=1S/C19H14N4O2/c1-23-11-14(10-21-23)13-8-18-16(20-9-13)5-6-17(22-18)19(25)12-3-2-4-15(24)7-12/h2-11,24H,1H3
InChIKeyTXHRQVDKKNZSSO-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.97
Rot. Bonds3

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

(3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone (PubChem CID 118333037) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone
PubChem CID118333037
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name(3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone
SMILESCn1cc(-c2cnc3ccc(C(=O)c4cccc(O)c4)nc3c2)cn1
InChIInChI=1S/C19H14N4O2/c1-23-11-14(10-21-23)13-8-18-16(20-9-13)5-6-17(22-18)19(25)12-3-2-4-15(24)7-12/h2-11,24H,1H3
InChIKeyTXHRQVDKKNZSSO-UHFFFAOYSA-N
XLogP2.97
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone (CID 118333037) is (3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone is Cn1cc(-c2cnc3ccc(C(=O)c4cccc(O)c4)nc3c2)cn1.
What is the InChIKey of (3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone?
The InChIKey is TXHRQVDKKNZSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-23-11-14(10-21-23)13-8-18-16(20-9-13)5-6-17(22-18)19(25)12-3-2-4-15(24)7-12/h2-11,24H,1H3.
What are the key properties of (3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone?
(3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone has a molecular weight of 330.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone is sourced from PubChem (CID 118333037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).