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

C22H19N5O2 — CID 108776494

IUPAC4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile
SMILESCC(=O)c1c(C)oc(Nc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c1C#N
InChIInChI=1S/C22H19N5O2/c1-12-10-18(25-22-17(11-23)20(14(3)28)15(4)29-22)24-21-19(12)13(2)26-27(21)16-8-6-5-7-9-16/h5-10H,1-4H3,(H,24,25)
InChIKeyJISKZBJNMWESHU-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.76
Rot. Bonds4

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

4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile (PubChem CID 108776494) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile.

Molecular Properties

Compound Name4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile
PubChem CID108776494
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile
SMILESCC(=O)c1c(C)oc(Nc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c1C#N
InChIInChI=1S/C22H19N5O2/c1-12-10-18(25-22-17(11-23)20(14(3)28)15(4)29-22)24-21-19(12)13(2)26-27(21)16-8-6-5-7-9-16/h5-10H,1-4H3,(H,24,25)
InChIKeyJISKZBJNMWESHU-UHFFFAOYSA-N
XLogP4.76
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-4,5-diphenylfuran-3-carbonitrile
CID 108774406
4-acetyl-2-(1,3-benzoxazol-2-ylamino)-5-methylfuran-3-carbonitrile
CID 108776497
N-[[4-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776302
4-acetyl-5-methyl-2-[[6-(3-nitrophenyl)pyridazin-3-yl]amino]furan-3-carbonitrile
CID 108776482
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383
4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
CID 126743745
4-(4,5-dimethylfuran-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 134085809
(2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079061
N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791497
4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile
CID 108776483
1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one
CID 108771461
5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile
CID 15647581

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile?
The IUPAC name of 4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile (CID 108776494) is 4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile.
What is the SMILES notation for 4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile?
The canonical SMILES for 4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile is CC(=O)c1c(C)oc(Nc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c1C#N.
What is the InChIKey of 4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile?
The InChIKey is JISKZBJNMWESHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-12-10-18(25-22-17(11-23)20(14(3)28)15(4)29-22)24-21-19(12)13(2)26-27(21)16-8-6-5-7-9-16/h5-10H,1-4H3,(H,24,25).
What are the key properties of 4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile?
4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile has a molecular weight of 385.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-5-methylfuran-3-carbonitrile is sourced from PubChem (CID 108776494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).