(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C17H27N3O2 — CID 97368631

IUPAC(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1nc2c(n1CC1CC1)[C@@H](COCC1CCOCC1)CNC2
InChIInChI=1S/C17H27N3O2/c1-2-13(1)9-20-12-19-16-8-18-7-15(17(16)20)11-22-10-14-3-5-21-6-4-14/h12-15,18H,1-11H2/t15-/m1/s1
InChIKeyVFWVQPVGDXIVOF-OAHLLOKOSA-N
MW305.42 g/mol
LogP1.92
Rot. Bonds6

About (7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 97368631) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID97368631
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1nc2c(n1CC1CC1)[C@@H](COCC1CCOCC1)CNC2
InChIInChI=1S/C17H27N3O2/c1-2-13(1)9-20-12-19-16-8-18-7-15(17(16)20)11-22-10-14-3-5-21-6-4-14/h12-15,18H,1-11H2/t15-/m1/s1
InChIKeyVFWVQPVGDXIVOF-OAHLLOKOSA-N
XLogP1.92
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 97368631) is (7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is c1nc2c(n1CC1CC1)[C@@H](COCC1CCOCC1)CNC2.
What is the InChIKey of (7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is VFWVQPVGDXIVOF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-13(1)9-20-12-19-16-8-18-7-15(17(16)20)11-22-10-14-3-5-21-6-4-14/h12-15,18H,1-11H2/t15-/m1/s1.
What are the key properties of (7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 305.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 97368631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).