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

C20H16N4O2 — CID 7998007

IUPAC(2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccn2)c1
InChIInChI=1S/C20H16N4O2/c1-12-6-7-17(25)16(9-12)19(26)14-10-15-13(2)23-24(20(15)22-11-14)18-5-3-4-8-21-18/h3-11,25H,1-2H3
InChIKeyCFDSNMNZTDRZKG-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.37
Rot. Bonds3

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

(2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 7998007) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID7998007
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccn2)c1
InChIInChI=1S/C20H16N4O2/c1-12-6-7-17(25)16(9-12)19(26)14-10-15-13(2)23-24(20(15)22-11-14)18-5-3-4-8-21-18/h3-11,25H,1-2H3
InChIKeyCFDSNMNZTDRZKG-UHFFFAOYSA-N
XLogP3.37
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.37
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-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone (CID 7998007) is (2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone is Cc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccn2)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is CFDSNMNZTDRZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-12-6-7-17(25)16(9-12)19(26)14-10-15-13(2)23-24(20(15)22-11-14)18-5-3-4-8-21-18/h3-11,25H,1-2H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone?
(2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 344.37 g/mol, XLogP of 3.37, 3 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-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 7998007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).