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

C22H19N3O2 — CID 44577967

IUPAC(2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1cc(C)c(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)c1
InChIInChI=1S/C22H19N3O2/c1-13-9-14(2)20(26)19(10-13)21(27)16-11-18-15(3)24-25(22(18)23-12-16)17-7-5-4-6-8-17/h4-12,26H,1-3H3
InChIKeyLTWAJDVBZNSQGY-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.28
Rot. Bonds3

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

(2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 44577967) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID44577967
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name(2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1cc(C)c(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)c1
InChIInChI=1S/C22H19N3O2/c1-13-9-14(2)20(26)19(10-13)21(27)16-11-18-15(3)24-25(22(18)23-12-16)17-7-5-4-6-8-17/h4-12,26H,1-3H3
InChIKeyLTWAJDVBZNSQGY-UHFFFAOYSA-N
XLogP4.28
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of (2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone (CID 44577967) is (2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for (2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for (2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone is Cc1cc(C)c(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)c1.
What is the InChIKey of (2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is LTWAJDVBZNSQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-9-14(2)20(26)19(10-13)21(27)16-11-18-15(3)24-25(22(18)23-12-16)17-7-5-4-6-8-17/h4-12,26H,1-3H3.
What are the key properties of (2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone?
(2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 357.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 44577967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).