2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine

C15H20N4 — CID 81136712

IUPAC2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(CC3CC4CCC(C3)N4)nc2n1
InChIInChI=1S/C15H20N4/c1-9-2-5-13-15(16-9)19-14(18-13)8-10-6-11-3-4-12(7-10)17-11/h2,5,10-12,17H,3-4,6-8H2,1H3,(H,16,18,19)
InChIKeyKFSAEYAFHCVRSC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.34
Rot. Bonds2

About 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine

2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 81136712) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID81136712
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(CC3CC4CCC(C3)N4)nc2n1
InChIInChI=1S/C15H20N4/c1-9-2-5-13-15(16-9)19-14(18-13)8-10-6-11-3-4-12(7-10)17-11/h2,5,10-12,17H,3-4,6-8H2,1H3,(H,16,18,19)
InChIKeyKFSAEYAFHCVRSC-UHFFFAOYSA-N
XLogP2.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 11539025
CID 11539025
CID 16109428
CID 16109428
CID 16109429
CID 16109429
CID 16109430
CID 16109430
CID 16109435
CID 16109435
CID 44418996
CID 44418996
CID 9815374
CID 9815374
CID 46216378
CID 46216378
CID 715810
CID 715810
CID 16109426
CID 16109426
CID 16109427
CID 16109427
CID 16109434
CID 16109434

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine (CID 81136712) is 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine is Cc1ccc2[nH]c(CC3CC4CCC(C3)N4)nc2n1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is KFSAEYAFHCVRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-9-2-5-13-15(16-9)19-14(18-13)8-10-6-11-3-4-12(7-10)17-11/h2,5,10-12,17H,3-4,6-8H2,1H3,(H,16,18,19).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 256.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81136712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).