2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile

C22H26N6O2 — CID 56583117

IUPAC2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCN(C(C#N)C(C)C)CC3)c12
InChIInChI=1S/C22H26N6O2/c1-14(2)18(13-23)27-7-9-28(10-8-27)22(29)16-12-17(19-6-5-11-30-19)24-21-20(16)15(3)25-26(21)4/h5-6,11-12,14,18H,7-10H2,1-4H3
InChIKeyYVIXSKZXZQHOSR-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.84
Rot. Bonds4

About 2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile

2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile (PubChem CID 56583117) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
PubChem CID56583117
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCN(C(C#N)C(C)C)CC3)c12
InChIInChI=1S/C22H26N6O2/c1-14(2)18(13-23)27-7-9-28(10-8-27)22(29)16-12-17(19-6-5-11-30-19)24-21-20(16)15(3)25-26(21)4/h5-6,11-12,14,18H,7-10H2,1-4H3
InChIKeyYVIXSKZXZQHOSR-UHFFFAOYSA-N
XLogP2.84
TPSA91.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile?
The IUPAC name of 2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile (CID 56583117) is 2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile?
The canonical SMILES for 2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCN(C(C#N)C(C)C)CC3)c12.
What is the InChIKey of 2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile?
The InChIKey is YVIXSKZXZQHOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14(2)18(13-23)27-7-9-28(10-8-27)22(29)16-12-17(19-6-5-11-30-19)24-21-20(16)15(3)25-26(21)4/h5-6,11-12,14,18H,7-10H2,1-4H3.
What are the key properties of 2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile?
2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile has a molecular weight of 406.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile is sourced from PubChem (CID 56583117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).