[5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone

C21H30N4O2S — CID 72891895

IUPAC[5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)s1
InChIInChI=1S/C21H30N4O2S/c1-15(2)12-25-9-6-17-19(23-14-22-17)21(25)7-10-24(11-8-21)20(26)18-5-4-16(28-18)13-27-3/h4-5,14-15H,6-13H2,1-3H3,(H,22,23)
InChIKeyQICNHRDGJAFCIK-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.26
Rot. Bonds5

About [5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone

[5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone (PubChem CID 72891895) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is [5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
PubChem CID72891895
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name[5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)s1
InChIInChI=1S/C21H30N4O2S/c1-15(2)12-25-9-6-17-19(23-14-22-17)21(25)7-10-24(11-8-21)20(26)18-5-4-16(28-18)13-27-3/h4-5,14-15H,6-13H2,1-3H3,(H,22,23)
InChIKeyQICNHRDGJAFCIK-UHFFFAOYSA-N
XLogP3.26
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone 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 [5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The IUPAC name of [5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone (CID 72891895) is [5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone is COCc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)s1.
What is the InChIKey of [5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The InChIKey is QICNHRDGJAFCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-15(2)12-25-9-6-17-19(23-14-22-17)21(25)7-10-24(11-8-21)20(26)18-5-4-16(28-18)13-27-3/h4-5,14-15H,6-13H2,1-3H3,(H,22,23).
What are the key properties of [5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
[5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone has a molecular weight of 402.56 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)thiophen-2-yl]-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 72891895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).