4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile

C12H12N4O2 — CID 168824964

IUPAC4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESCC1(C)OCC(c2ccnc3n[nH]c(C#N)c23)O1
InChIInChI=1S/C12H12N4O2/c1-12(2)17-6-9(18-12)7-3-4-14-11-10(7)8(5-13)15-16-11/h3-4,9H,6H2,1-2H3,(H,14,15,16)
InChIKeyNDIAWCYKAHFYCJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.65
Rot. Bonds1

About 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile

4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile (PubChem CID 168824964) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile
PubChem CID168824964
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESCC1(C)OCC(c2ccnc3n[nH]c(C#N)c23)O1
InChIInChI=1S/C12H12N4O2/c1-12(2)17-6-9(18-12)7-3-4-14-11-10(7)8(5-13)15-16-11/h3-4,9H,6H2,1-2H3,(H,14,15,16)
InChIKeyNDIAWCYKAHFYCJ-UHFFFAOYSA-N
XLogP1.65
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile (CID 168824964) is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile is CC1(C)OCC(c2ccnc3n[nH]c(C#N)c23)O1.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is NDIAWCYKAHFYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-12(2)17-6-9(18-12)7-3-4-14-11-10(7)8(5-13)15-16-11/h3-4,9H,6H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile?
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 244.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 168824964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).