N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide

C21H21N5O2 — CID 90832620

IUPACN-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CC2CCN1CC2)c1cc2cc(C#CCn3cccn3)oc2cn1
InChIInChI=1S/C21H21N5O2/c27-21(24-20-11-15-4-9-25(20)10-5-15)18-13-16-12-17(28-19(16)14-22-18)3-1-7-26-8-2-6-23-26/h2,6,8,12-15,20H,4-5,7,9-11H2,(H,24,27)
InChIKeyIIZIDEAPKAHCOX-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.25
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide

N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide (PubChem CID 90832620) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
PubChem CID90832620
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CC2CCN1CC2)c1cc2cc(C#CCn3cccn3)oc2cn1
InChIInChI=1S/C21H21N5O2/c27-21(24-20-11-15-4-9-25(20)10-5-15)18-13-16-12-17(28-19(16)14-22-18)3-1-7-26-8-2-6-23-26/h2,6,8,12-15,20H,4-5,7,9-11H2,(H,24,27)
InChIKeyIIZIDEAPKAHCOX-UHFFFAOYSA-N
XLogP2.25
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide (CID 90832620) is N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide is O=C(NC1CC2CCN1CC2)c1cc2cc(C#CCn3cccn3)oc2cn1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is IIZIDEAPKAHCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-21(24-20-11-15-4-9-25(20)10-5-15)18-13-16-12-17(28-19(16)14-22-18)3-1-7-26-8-2-6-23-26/h2,6,8,12-15,20H,4-5,7,9-11H2,(H,24,27).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide?
N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-2-yl)-2-(3-pyrazol-1-ylprop-1-ynyl)furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 90832620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).