2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile

C31H23N5O — CID 108774406

IUPAC2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile
SMILESCc1cc(Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C31H23N5O/c1-20-18-26(33-30-27(20)21(2)35-36(30)24-16-10-5-11-17-24)34-31-25(19-32)28(22-12-6-3-7-13-22)29(37-31)23-14-8-4-9-15-23/h3-18H,1-2H3,(H,33,34)
InChIKeyGGDZXAYFXLRCKZ-UHFFFAOYSA-N
MW481.56 g/mol
LogP7.58
Rot. Bonds5

About 2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile

2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile (PubChem CID 108774406) has the molecular formula C31H23N5O and a molecular weight of 481.56 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile
PubChem CID108774406
Molecular FormulaC31H23N5O
Molecular Weight481.56 g/mol
Exact Mass481.19
IUPAC Name2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile
SMILESCc1cc(Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C31H23N5O/c1-20-18-26(33-30-27(20)21(2)35-36(30)24-16-10-5-11-17-24)34-31-25(19-32)28(22-12-6-3-7-13-22)29(37-31)23-14-8-4-9-15-23/h3-18H,1-2H3,(H,33,34)
InChIKeyGGDZXAYFXLRCKZ-UHFFFAOYSA-N
XLogP7.58
TPSA79.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile with MolForge

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Related Compounds

4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile
CID 108776494
N-(3-cyano-4,5-diphenylfuran-2-yl)methanesulfonamide
CID 108781743
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383
2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile
CID 2324827
4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
CID 126743745
2-[[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]amino]-4,5-diphenylfuran-3-carbonitrile
CID 108774428
ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate
CID 108774402
2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile
CID 108774400
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 108757752
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162655433
5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile
CID 15647581

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
The IUPAC name of 2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile (CID 108774406) is 2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
The canonical SMILES for 2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile is Cc1cc(Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of 2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
The InChIKey is GGDZXAYFXLRCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N5O/c1-20-18-26(33-30-27(20)21(2)35-36(30)24-16-10-5-11-17-24)34-31-25(19-32)28(22-12-6-3-7-13-22)29(37-31)23-14-8-4-9-15-23/h3-18H,1-2H3,(H,33,34).
What are the key properties of 2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile has a molecular weight of 481.56 g/mol, XLogP of 7.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile is sourced from PubChem (CID 108774406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).