4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

C31H22N4O — CID 102393650

IUPAC4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1ccc(-c2nc3c(c(-c4ccc(C)cc4)nn3-c3ccccc3)c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C31H22N4O/c1-20-10-14-22(15-11-20)29-25(19-32)27(26-9-6-18-36-26)28-30(23-16-12-21(2)13-17-23)34-35(31(28)33-29)24-7-4-3-5-8-24/h3-18H,1-2H3
InChIKeyMNPFBMQLBUHVFD-UHFFFAOYSA-N
MW466.54 g/mol
LogP7.50
Rot. Bonds4

About 4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 102393650) has the molecular formula C31H22N4O and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID102393650
Molecular FormulaC31H22N4O
Molecular Weight466.54 g/mol
Exact Mass466.18
IUPAC Name4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1ccc(-c2nc3c(c(-c4ccc(C)cc4)nn3-c3ccccc3)c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C31H22N4O/c1-20-10-14-22(15-11-20)29-25(19-32)27(26-9-6-18-36-26)28-30(23-16-12-21(2)13-17-23)34-35(31(28)33-29)24-7-4-3-5-8-24/h3-18H,1-2H3
InChIKeyMNPFBMQLBUHVFD-UHFFFAOYSA-N
XLogP7.50
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393645
4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162640371
4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162655433
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 139060110
5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22310084
5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile
CID 46183585
6-amino-1-(4-methylphenyl)-4-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile
CID 5297911
4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline
CID 102055178
4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile
CID 132540085
6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 51348382
1-(4-methylphenyl)-5-phenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 102393650) is 4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is Cc1ccc(-c2nc3c(c(-c4ccc(C)cc4)nn3-c3ccccc3)c(-c3ccco3)c2C#N)cc1.
What is the InChIKey of 4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is MNPFBMQLBUHVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4O/c1-20-10-14-22(15-11-20)29-25(19-32)27(26-9-6-18-36-26)28-30(23-16-12-21(2)13-17-23)34-35(31(28)33-29)24-7-4-3-5-8-24/h3-18H,1-2H3.
What are the key properties of 4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 466.54 g/mol, XLogP of 7.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 102393650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).