3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol

C21H31N3O — CID 23527162

IUPAC3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol
SMILESCCC(O)(CC)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C21H31N3O/c1-7-21(25,8-2)19-17-10-9-11-24(20(17)22-23(19)6)18-15(4)12-14(3)13-16(18)5/h12-13,25H,7-11H2,1-6H3
InChIKeyYKEMUHFBSTXTOD-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.44
Rot. Bonds4

About 3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol

3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol (PubChem CID 23527162) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol
PubChem CID23527162
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol
SMILESCCC(O)(CC)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C21H31N3O/c1-7-21(25,8-2)19-17-10-9-11-24(20(17)22-23(19)6)18-15(4)12-14(3)13-16(18)5/h12-13,25H,7-11H2,1-6H3
InChIKeyYKEMUHFBSTXTOD-UHFFFAOYSA-N
XLogP4.44
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

amino-[2-methyl-8-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-b]azepin-3-yl]-phenylmethanol
CID 163570866
7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 141121374
N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine
CID 87928133
2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
CID 91803757
N-benzyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 23527221
3-(2,6-dimethoxyphenyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
CID 22136302
2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 69472854
2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 23527202
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 23527197
N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 158275183
3-bromo-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine;2-methyl-3-methylsulfanyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine;2-methyl-3-methylsulfonyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
CID 161202652
7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 23527180

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol?
The IUPAC name of 3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol (CID 23527162) is 3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol.
What is the SMILES notation for 3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol?
The canonical SMILES for 3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol is CCC(O)(CC)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.
What is the InChIKey of 3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol?
The InChIKey is YKEMUHFBSTXTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-7-21(25,8-2)19-17-10-9-11-24(20(17)22-23(19)6)18-15(4)12-14(3)13-16(18)5/h12-13,25H,7-11H2,1-6H3.
What are the key properties of 3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol?
3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol has a molecular weight of 341.50 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol is sourced from PubChem (CID 23527162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).