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

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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).