6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile

C37H31N5O — CID 164620142

IUPAC6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2nc3c(c(-c4ccccc4)nn3-c3ccccc3)c(-c3ccc(N4CCCCC4)cc3)c2C#N)cc1
InChIInChI=1S/C37H31N5O/c1-43-31-21-17-28(18-22-31)35-32(25-38)33(26-15-19-29(20-16-26)41-23-9-4-10-24-41)34-36(27-11-5-2-6-12-27)40-42(37(34)39-35)30-13-7-3-8-14-30/h2-3,5-8,11-22H,4,9-10,23-24H2,1H3
InChIKeyGIXUTLXXVCDLGH-UHFFFAOYSA-N
MW561.69 g/mol
LogP8.29
Rot. Bonds6

About 6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile

6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 164620142) has the molecular formula C37H31N5O and a molecular weight of 561.69 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID164620142
Molecular FormulaC37H31N5O
Molecular Weight561.69 g/mol
Exact Mass561.25
IUPAC Name6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2nc3c(c(-c4ccccc4)nn3-c3ccccc3)c(-c3ccc(N4CCCCC4)cc3)c2C#N)cc1
InChIInChI=1S/C37H31N5O/c1-43-31-21-17-28(18-22-31)35-32(25-38)33(26-15-19-29(20-16-26)41-23-9-4-10-24-41)34-36(27-11-5-2-6-12-27)40-42(37(34)39-35)30-13-7-3-8-14-30/h2-3,5-8,11-22H,4,9-10,23-24H2,1H3
InChIKeyGIXUTLXXVCDLGH-UHFFFAOYSA-N
XLogP8.29
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 164620142) is 6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile is COc1ccc(-c2nc3c(c(-c4ccccc4)nn3-c3ccccc3)c(-c3ccc(N4CCCCC4)cc3)c2C#N)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is GIXUTLXXVCDLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N5O/c1-43-31-21-17-28(18-22-31)35-32(25-38)33(26-15-19-29(20-16-26)41-23-9-4-10-24-41)34-36(27-11-5-2-6-12-27)40-42(37(34)39-35)30-13-7-3-8-14-30/h2-3,5-8,11-22H,4,9-10,23-24H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 561.69 g/mol, XLogP of 8.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1,3-diphenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 164620142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).