3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine

C24H29N3O2 — CID 22136302

IUPAC3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
SMILESCOc1cccc(OC)c1-c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C24H29N3O2/c1-15-13-16(2)22(17(3)14-15)27-12-8-9-18-23(26(4)25-24(18)27)21-19(28-5)10-7-11-20(21)29-6/h7,10-11,13-14H,8-9,12H2,1-6H3
InChIKeyKOLSXBVICDEROW-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.11
Rot. Bonds4

About 3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine

3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine (PubChem CID 22136302) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
PubChem CID22136302
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
SMILESCOc1cccc(OC)c1-c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C24H29N3O2/c1-15-13-16(2)22(17(3)14-15)27-12-8-9-18-23(26(4)25-24(18)27)21-19(28-5)10-7-11-20(21)29-6/h7,10-11,13-14H,8-9,12H2,1-6H3
InChIKeyKOLSXBVICDEROW-UHFFFAOYSA-N
XLogP5.11
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine (CID 22136302) is 3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine is COc1cccc(OC)c1-c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
The InChIKey is KOLSXBVICDEROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-15-13-16(2)22(17(3)14-15)27-12-8-9-18-23(26(4)25-24(18)27)21-19(28-5)10-7-11-20(21)29-6/h7,10-11,13-14H,8-9,12H2,1-6H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine has a molecular weight of 391.52 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 22136302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).