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

C16H15N3O2 — CID 4884002

IUPAC(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3C)c1
InChIInChI=1S/C16H15N3O2/c1-9-4-5-14(20)13(6-9)15(21)11-7-12-10(2)18-19(3)16(12)17-8-11/h4-8,20H,1-3H3
InChIKeyPJLHGGSPHGAFDQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.52
Rot. Bonds2

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

(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 4884002) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone
PubChem CID4884002
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3C)c1
InChIInChI=1S/C16H15N3O2/c1-9-4-5-14(20)13(6-9)15(21)11-7-12-10(2)18-19(3)16(12)17-8-11/h4-8,20H,1-3H3
InChIKeyPJLHGGSPHGAFDQ-UHFFFAOYSA-N
XLogP2.52
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 16259746
(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
CID 2125445
(5-Fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]methanone
CID 4884014
(2-hydroxy-5-methylphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 901814
(5-chloro-2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 1211939
(2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 1211941
(5-fluoro-2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 4884005
(5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 2094064
(2-Hydroxyphenyl)(3-methyl-1H-pyrazolo[3,4-b]pyridine-5-yl) ketone
CID 2999473
4-(3-Hydroxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 44338541
[1-(4,6-Dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 2387252
4-chloro-2-[1-(2-hydroxyethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl]phenol
CID 2554293

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone (CID 4884002) is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone is Cc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3C)c1.
What is the InChIKey of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is PJLHGGSPHGAFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-4-5-14(20)13(6-9)15(21)11-7-12-10(2)18-19(3)16(12)17-8-11/h4-8,20H,1-3H3.
What are the key properties of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone?
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 281.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 4884002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).