5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C33H36N4O — CID 137352952

IUPAC5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1cc(C(C)(C)C)ccc1C)CC2
InChIInChI=1S/C33H36N4O/c1-21-10-12-25(33(3,4)5)19-29(21)36-17-15-28-26(20-36)32(24-11-13-27-23(18-24)14-16-34-27)37(35-28)31-22(2)8-7-9-30(31)38-6/h7-14,16,18-19,34H,15,17,20H2,1-6H3
InChIKeyCJIQBFNBFGVPIO-UHFFFAOYSA-N
MW504.68 g/mol
LogP7.51
Rot. Bonds4

About 5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 137352952) has the molecular formula C33H36N4O and a molecular weight of 504.68 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID137352952
Molecular FormulaC33H36N4O
Molecular Weight504.68 g/mol
Exact Mass504.29
IUPAC Name5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1cc(C(C)(C)C)ccc1C)CC2
InChIInChI=1S/C33H36N4O/c1-21-10-12-25(33(3,4)5)19-29(21)36-17-15-28-26(20-36)32(24-11-13-27-23(18-24)14-16-34-27)37(35-28)31-22(2)8-7-9-30(31)38-6/h7-14,16,18-19,34H,15,17,20H2,1-6H3
InChIKeyCJIQBFNBFGVPIO-UHFFFAOYSA-N
XLogP7.51
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 137352952) is 5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is COc1cccc(C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1cc(C(C)(C)C)ccc1C)CC2.
What is the InChIKey of 5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is CJIQBFNBFGVPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O/c1-21-10-12-25(33(3,4)5)19-29(21)36-17-15-28-26(20-36)32(24-11-13-27-23(18-24)14-16-34-27)37(35-28)31-22(2)8-7-9-30(31)38-6/h7-14,16,18-19,34H,15,17,20H2,1-6H3.
What are the key properties of 5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 504.68 g/mol, XLogP of 7.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-methylphenyl)-3-(1H-indol-5-yl)-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 137352952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).