2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine

C17H22N4 — CID 79612463

IUPAC2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine
SMILESc1cc2c(cn1)nc(CC1CC3CCC(C1)N3)n2C1CC1
InChIInChI=1S/C17H22N4/c1-2-13-8-11(7-12(1)19-13)9-17-20-15-10-18-6-5-16(15)21(17)14-3-4-14/h5-6,10-14,19H,1-4,7-9H2
InChIKeyNKGQHKNLONSLLM-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.84
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine

2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine (PubChem CID 79612463) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine
PubChem CID79612463
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine
SMILESc1cc2c(cn1)nc(CC1CC3CCC(C1)N3)n2C1CC1
InChIInChI=1S/C17H22N4/c1-2-13-8-11(7-12(1)19-13)9-17-20-15-10-18-6-5-16(15)21(17)14-3-4-14/h5-6,10-14,19H,1-4,7-9H2
InChIKeyNKGQHKNLONSLLM-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine (CID 79612463) is 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine is c1cc2c(cn1)nc(CC1CC3CCC(C1)N3)n2C1CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine?
The InChIKey is NKGQHKNLONSLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-13-8-11(7-12(1)19-13)9-17-20-15-10-18-6-5-16(15)21(17)14-3-4-14/h5-6,10-14,19H,1-4,7-9H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine?
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine has a molecular weight of 282.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-cyclopropylimidazo[4,5-c]pyridine is sourced from PubChem (CID 79612463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).