4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline

C30H34N4 — CID 157415341

IUPAC4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline
SMILESCc1ccccc1N1CCc2nn(-c3c(C)cccc3C)c(-c3ccc(NC(C)C)cc3)c2C1
InChIInChI=1S/C30H34N4/c1-20(2)31-25-15-13-24(14-16-25)30-26-19-33(28-12-7-6-9-21(28)3)18-17-27(26)32-34(30)29-22(4)10-8-11-23(29)5/h6-16,20,31H,17-19H2,1-5H3
InChIKeyBOTXIBVQNICTNK-UHFFFAOYSA-N
MW450.63 g/mol
LogP6.85
Rot. Bonds5

About 4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline

4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline (PubChem CID 157415341) has the molecular formula C30H34N4 and a molecular weight of 450.63 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline
PubChem CID157415341
Molecular FormulaC30H34N4
Molecular Weight450.63 g/mol
Exact Mass450.28
IUPAC Name4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline
SMILESCc1ccccc1N1CCc2nn(-c3c(C)cccc3C)c(-c3ccc(NC(C)C)cc3)c2C1
InChIInChI=1S/C30H34N4/c1-20(2)31-25-15-13-24(14-16-25)30-26-19-33(28-12-7-6-9-21(28)3)18-17-27(26)32-34(30)29-22(4)10-8-11-23(29)5/h6-16,20,31H,17-19H2,1-5H3
InChIKeyBOTXIBVQNICTNK-UHFFFAOYSA-N
XLogP6.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2,6-dimethylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 139296596
4-[5-(2-tert-butylphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
CID 139296469
[4-[5-(5-tert-butyl-2-methylphenyl)-2-[2-methyl-6-(2-methylpropyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296405
[4-[5-(5-fluoro-2-methylphenyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296479
[4-[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296379
1-[4-[2-(2,6-dimethylphenyl)-5-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]phenyl]ethanone
CID 161433328
4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71238867
[4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296764
[4-[5-(3,3-dimethylbutanoyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296783
[4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296904
[2-fluoro-4-[5-(3-fluoro-5-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296327
[4-[5-[(2,5-dichlorophenyl)methyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296757

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline?
The IUPAC name of 4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline (CID 157415341) is 4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline.
What is the SMILES notation for 4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline?
The canonical SMILES for 4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline is Cc1ccccc1N1CCc2nn(-c3c(C)cccc3C)c(-c3ccc(NC(C)C)cc3)c2C1.
What is the InChIKey of 4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline?
The InChIKey is BOTXIBVQNICTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4/c1-20(2)31-25-15-13-24(14-16-25)30-26-19-33(28-12-7-6-9-21(28)3)18-17-27(26)32-34(30)29-22(4)10-8-11-23(29)5/h6-16,20,31H,17-19H2,1-5H3.
What are the key properties of 4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline?
4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline has a molecular weight of 450.63 g/mol, XLogP of 6.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline is sourced from PubChem (CID 157415341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).