(2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone

C27H21N3O3 — CID 44577931

IUPAC(2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3ncc(C(=O)c4cc(C)ccc4O)cc23)cc1
InChIInChI=1S/C27H21N3O3/c1-17-8-13-24(31)22(14-17)26(32)19-15-23-25(18-9-11-21(33-2)12-10-18)29-30(27(23)28-16-19)20-6-4-3-5-7-20/h3-16,31H,1-2H3
InChIKeyMXJPXWHUCMXUAH-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.34
Rot. Bonds5

About (2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone

(2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 44577931) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID44577931
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Name(2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3ncc(C(=O)c4cc(C)ccc4O)cc23)cc1
InChIInChI=1S/C27H21N3O3/c1-17-8-13-24(31)22(14-17)26(32)19-15-23-25(18-9-11-21(33-2)12-10-18)29-30(27(23)28-16-19)20-6-4-3-5-7-20/h3-16,31H,1-2H3
InChIKeyMXJPXWHUCMXUAH-UHFFFAOYSA-N
XLogP5.34
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone (CID 44577931) is (2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone is COc1ccc(-c2nn(-c3ccccc3)c3ncc(C(=O)c4cc(C)ccc4O)cc23)cc1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is MXJPXWHUCMXUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c1-17-8-13-24(31)22(14-17)26(32)19-15-23-25(18-9-11-21(33-2)12-10-18)29-30(27(23)28-16-19)20-6-4-3-5-7-20/h3-16,31H,1-2H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone?
(2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 435.48 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-[3-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 44577931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).