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

C27H28N4O — CID 139296482

IUPAC4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
SMILESCOc1cccc(C)c1-n1nc2c(c1-c1ccc(N)cc1)CN(c1ccccc1C)CC2
InChIInChI=1S/C27H28N4O/c1-18-7-4-5-9-24(18)30-16-15-23-22(17-30)27(20-11-13-21(28)14-12-20)31(29-23)26-19(2)8-6-10-25(26)32-3/h4-14H,15-17,28H2,1-3H3
InChIKeyHKFCADHTBAXKCU-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.31
Rot. Bonds4

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

4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline (PubChem CID 139296482) has the molecular formula C27H28N4O and a molecular weight of 424.55 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]aniline.

Molecular Properties

Compound Name4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
PubChem CID139296482
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
SMILESCOc1cccc(C)c1-n1nc2c(c1-c1ccc(N)cc1)CN(c1ccccc1C)CC2
InChIInChI=1S/C27H28N4O/c1-18-7-4-5-9-24(18)30-16-15-23-22(17-30)27(20-11-13-21(28)14-12-20)31(29-23)26-19(2)8-6-10-25(26)32-3/h4-14H,15-17,28H2,1-3H3
InChIKeyHKFCADHTBAXKCU-UHFFFAOYSA-N
XLogP5.31
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

SK&F 96079
CID 196776
methyl 4-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-6-yl ether
CID 3307854
N-(2-methoxyphenyl)-3-phenyl-1H-indazol-6-amine
CID 10149689
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727548
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

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]aniline?
The IUPAC name of 4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline (CID 139296482) is 4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline.
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]aniline?
The canonical SMILES for 4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline is COc1cccc(C)c1-n1nc2c(c1-c1ccc(N)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]aniline?
The InChIKey is HKFCADHTBAXKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-18-7-4-5-9-24(18)30-16-15-23-22(17-30)27(20-11-13-21(28)14-12-20)31(29-23)26-19(2)8-6-10-25(26)32-3/h4-14H,15-17,28H2,1-3H3.
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]aniline?
4-[2-(2-methoxy-6-methylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline has a molecular weight of 424.55 g/mol, XLogP of 5.31, 4 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]aniline is sourced from PubChem (CID 139296482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).