3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile

C17H17N7 — CID 71253891

IUPAC3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
SMILESN#Cc1cc2c(-c3cccc(N4CCCC(N)C4)n3)n[nH]c2cn1
InChIInChI=1S/C17H17N7/c18-8-12-7-13-15(9-20-12)22-23-17(13)14-4-1-5-16(21-14)24-6-2-3-11(19)10-24/h1,4-5,7,9,11H,2-3,6,10,19H2,(H,22,23)
InChIKeyXMMVQPRRYGDBDW-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.82
Rot. Bonds2

About 3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile

3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile (PubChem CID 71253891) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
PubChem CID71253891
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
SMILESN#Cc1cc2c(-c3cccc(N4CCCC(N)C4)n3)n[nH]c2cn1
InChIInChI=1S/C17H17N7/c18-8-12-7-13-15(9-20-12)22-23-17(13)14-4-1-5-16(21-14)24-6-2-3-11(19)10-24/h1,4-5,7,9,11H,2-3,6,10,19H2,(H,22,23)
InChIKeyXMMVQPRRYGDBDW-UHFFFAOYSA-N
XLogP1.82
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile (CID 71253891) is 3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile is N#Cc1cc2c(-c3cccc(N4CCCC(N)C4)n3)n[nH]c2cn1.
What is the InChIKey of 3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile?
The InChIKey is XMMVQPRRYGDBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c18-8-12-7-13-15(9-20-12)22-23-17(13)14-4-1-5-16(21-14)24-6-2-3-11(19)10-24/h1,4-5,7,9,11H,2-3,6,10,19H2,(H,22,23).
What are the key properties of 3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile?
3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile has a molecular weight of 319.37 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71253891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).