(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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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).