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

C31H36N4O — CID 139296430

IUPACN-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
SMILESCCNc1ccc(-c2c3c(nn2-c2c(C)cccc2OC)CCN(c2ccccc2C(C)C)C3)cc1
InChIInChI=1S/C31H36N4O/c1-6-32-24-16-14-23(15-17-24)31-26-20-34(28-12-8-7-11-25(28)21(2)3)19-18-27(26)33-35(31)30-22(4)10-9-13-29(30)36-5/h7-17,21,32H,6,18-20H2,1-5H3
InChIKeyOYXVANLYCIJOQV-UHFFFAOYSA-N
MW480.66 g/mol
LogP6.97
Rot. Bonds7

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

N-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline (PubChem CID 139296430) has the molecular formula C31H36N4O and a molecular weight of 480.66 g/mol. Its IUPAC name is N-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline.

Molecular Properties

Compound NameN-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
PubChem CID139296430
Molecular FormulaC31H36N4O
Molecular Weight480.66 g/mol
Exact Mass480.29
IUPAC NameN-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
SMILESCCNc1ccc(-c2c3c(nn2-c2c(C)cccc2OC)CCN(c2ccccc2C(C)C)C3)cc1
InChIInChI=1S/C31H36N4O/c1-6-32-24-16-14-23(15-17-24)31-26-20-34(28-12-8-7-11-25(28)21(2)3)19-18-27(26)33-35(31)30-22(4)10-9-13-29(30)36-5/h7-17,21,32H,6,18-20H2,1-5H3
InChIKeyOYXVANLYCIJOQV-UHFFFAOYSA-N
XLogP6.97
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 56.97
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 N-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline?
The IUPAC name of N-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline (CID 139296430) is N-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline.
What is the SMILES notation for N-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline?
The canonical SMILES for N-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline is CCNc1ccc(-c2c3c(nn2-c2c(C)cccc2OC)CCN(c2ccccc2C(C)C)C3)cc1.
What is the InChIKey of N-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline?
The InChIKey is OYXVANLYCIJOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O/c1-6-32-24-16-14-23(15-17-24)31-26-20-34(28-12-8-7-11-25(28)21(2)3)19-18-27(26)33-35(31)30-22(4)10-9-13-29(30)36-5/h7-17,21,32H,6,18-20H2,1-5H3.
What are the key properties of N-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline?
N-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline has a molecular weight of 480.66 g/mol, XLogP of 6.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(2-methoxy-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline is sourced from PubChem (CID 139296430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).