1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone

C16H24N4O — CID 68878460

IUPAC1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCC(=O)N1[C@@H]2CC[C@H]1CC(n1c(C)nc3c1CNCC3)C2
InChIInChI=1S/C16H24N4O/c1-10-18-15-5-6-17-9-16(15)19(10)14-7-12-3-4-13(8-14)20(12)11(2)21/h12-14,17H,3-9H2,1-2H3/t12-,13+,14?
InChIKeyUSOYPQJPQNAZQF-PBWFPOADSA-N
MW288.39 g/mol
LogP1.55
Rot. Bonds1

About 1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone

1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone (PubChem CID 68878460) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone.

Molecular Properties

Compound Name1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
PubChem CID68878460
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCC(=O)N1[C@@H]2CC[C@H]1CC(n1c(C)nc3c1CNCC3)C2
InChIInChI=1S/C16H24N4O/c1-10-18-15-5-6-17-9-16(15)19(10)14-7-12-3-4-13(8-14)20(12)11(2)21/h12-14,17H,3-9H2,1-2H3/t12-,13+,14?
InChIKeyUSOYPQJPQNAZQF-PBWFPOADSA-N
XLogP1.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The IUPAC name of 1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone (CID 68878460) is 1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone.
What is the SMILES notation for 1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The canonical SMILES for 1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone is CC(=O)N1[C@@H]2CC[C@H]1CC(n1c(C)nc3c1CNCC3)C2.
What is the InChIKey of 1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The InChIKey is USOYPQJPQNAZQF-PBWFPOADSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10-18-15-5-6-17-9-16(15)19(10)14-7-12-3-4-13(8-14)20(12)11(2)21/h12-14,17H,3-9H2,1-2H3/t12-,13+,14?.
What are the key properties of 1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone is sourced from PubChem (CID 68878460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).