6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine

C19H22N6 — CID 158365267

IUPAC6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2cnc(Cc3ccnc(N4CC5CC4C5)n3)cc21
InChIInChI=1S/C19H22N6/c1-12(2)25-11-22-17-9-21-15(8-18(17)25)7-14-3-4-20-19(23-14)24-10-13-5-16(24)6-13/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3
InChIKeyGTYMZBTVJFPWMP-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.99
Rot. Bonds4

About 6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine

6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 158365267) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID158365267
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2cnc(Cc3ccnc(N4CC5CC4C5)n3)cc21
InChIInChI=1S/C19H22N6/c1-12(2)25-11-22-17-9-21-15(8-18(17)25)7-14-3-4-20-19(23-14)24-10-13-5-16(24)6-13/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3
InChIKeyGTYMZBTVJFPWMP-UHFFFAOYSA-N
XLogP2.99
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine (CID 158365267) is 6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine is CC(C)n1cnc2cnc(Cc3ccnc(N4CC5CC4C5)n3)cc21.
What is the InChIKey of 6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is GTYMZBTVJFPWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-12(2)25-11-22-17-9-21-15(8-18(17)25)7-14-3-4-20-19(23-14)24-10-13-5-16(24)6-13/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3.
What are the key properties of 6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine?
6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 334.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]methyl]-1-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 158365267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).