3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole

C16H16N4 — CID 85472972

IUPAC3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
SMILESc1ccc2c(-c3ccnc(N4CCCC4)c3)n[nH]c2c1
InChIInChI=1S/C16H16N4/c1-2-6-14-13(5-1)16(19-18-14)12-7-8-17-15(11-12)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)
InChIKeyISQIUQYTDMXLPH-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.23
Rot. Bonds2

About 3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole

3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole (PubChem CID 85472972) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
PubChem CID85472972
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
SMILESc1ccc2c(-c3ccnc(N4CCCC4)c3)n[nH]c2c1
InChIInChI=1S/C16H16N4/c1-2-6-14-13(5-1)16(19-18-14)12-7-8-17-15(11-12)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)
InChIKeyISQIUQYTDMXLPH-UHFFFAOYSA-N
XLogP3.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole?
The IUPAC name of 3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole (CID 85472972) is 3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole.
What is the SMILES notation for 3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole?
The canonical SMILES for 3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole is c1ccc2c(-c3ccnc(N4CCCC4)c3)n[nH]c2c1.
What is the InChIKey of 3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole?
The InChIKey is ISQIUQYTDMXLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-6-14-13(5-1)16(19-18-14)12-7-8-17-15(11-12)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10H2,(H,18,19).
What are the key properties of 3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole?
3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole has a molecular weight of 264.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole is sourced from PubChem (CID 85472972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).