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

C30H34N4O — CID 139296429

IUPAC4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline
SMILESCOc1cccc(C)c1-n1nc2c(c1-c1ccc(NC(C)C)cc1)CN(c1ccccc1C)CC2
InChIInChI=1S/C30H34N4O/c1-20(2)31-24-15-13-23(14-16-24)30-25-19-33(27-11-7-6-9-21(27)3)18-17-26(25)32-34(30)29-22(4)10-8-12-28(29)35-5/h6-16,20,31H,17-19H2,1-5H3
InChIKeyLIRGPIZOXAPLKJ-UHFFFAOYSA-N
MW466.63 g/mol
LogP6.55
Rot. Bonds6

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

4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline (PubChem CID 139296429) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is 4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline
PubChem CID139296429
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC Name4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline
SMILESCOc1cccc(C)c1-n1nc2c(c1-c1ccc(NC(C)C)cc1)CN(c1ccccc1C)CC2
InChIInChI=1S/C30H34N4O/c1-20(2)31-24-15-13-23(14-16-24)30-25-19-33(27-11-7-6-9-21(27)3)18-17-26(25)32-34(30)29-22(4)10-8-12-28(29)35-5/h6-16,20,31H,17-19H2,1-5H3
InChIKeyLIRGPIZOXAPLKJ-UHFFFAOYSA-N
XLogP6.55
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-phenyl-1H-indazol-6-amine
CID 10149689
4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N,N-dimethylaniline
CID 70681600
4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline
CID 70692175
[2,5-difluoro-4-[5-(2-phenylpropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296269
[2,5-difluoro-4-[2-[2-fluoro-6-(2-methylpropoxy)phenyl]-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296289
[4-[2-(2,6-diethylphenyl)-5-[2-(3-methoxyphenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296294
[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296297
[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-(2,2,2-trifluoro-1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296306
[4-[5-(cyclohexylmethyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-fluorophenyl]urea
CID 139296315
[4-[5-butan-2-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-fluorophenyl]urea
CID 139296318
[4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trifluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296326
[4-[5-(cyclopentanecarbonyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-fluorophenyl]urea
CID 139296329

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxy-6-methylphenyl)-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-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline (CID 139296429) is 4-[2-(2-methoxy-6-methylphenyl)-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-methoxy-6-methylphenyl)-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-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline is COc1cccc(C)c1-n1nc2c(c1-c1ccc(NC(C)C)cc1)CN(c1ccccc1C)CC2.
What is the InChIKey of 4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline?
The InChIKey is LIRGPIZOXAPLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O/c1-20(2)31-24-15-13-23(14-16-24)30-25-19-33(27-11-7-6-9-21(27)3)18-17-26(25)32-34(30)29-22(4)10-8-12-28(29)35-5/h6-16,20,31H,17-19H2,1-5H3.
What are the key properties of 4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline?
4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline has a molecular weight of 466.63 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline is sourced from PubChem (CID 139296429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).