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

C20H18N6 — CID 71263066

IUPAC5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cncc(-c2cc3c(-c4cccc(N5CCCC5)n4)n[nH]c3cn2)c1
InChIInChI=1S/C20H18N6/c1-2-10-26(9-1)19-7-3-6-16(23-19)20-15-11-17(14-5-4-8-21-12-14)22-13-18(15)24-25-20/h3-8,11-13H,1-2,9-10H2,(H,24,25)
InChIKeyUJYUSMYKLIBOJZ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.68
Rot. Bonds3

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

5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71263066) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID71263066
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cncc(-c2cc3c(-c4cccc(N5CCCC5)n4)n[nH]c3cn2)c1
InChIInChI=1S/C20H18N6/c1-2-10-26(9-1)19-7-3-6-16(23-19)20-15-11-17(14-5-4-8-21-12-14)22-13-18(15)24-25-20/h3-8,11-13H,1-2,9-10H2,(H,24,25)
InChIKeyUJYUSMYKLIBOJZ-UHFFFAOYSA-N
XLogP3.68
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 71263066) is 5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is c1cncc(-c2cc3c(-c4cccc(N5CCCC5)n4)n[nH]c3cn2)c1.
What is the InChIKey of 5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is UJYUSMYKLIBOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-2-10-26(9-1)19-7-3-6-16(23-19)20-15-11-17(14-5-4-8-21-12-14)22-13-18(15)24-25-20/h3-8,11-13H,1-2,9-10H2,(H,24,25).
What are the key properties of 5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 342.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71263066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).