5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C21H34N6 — CID 72931768

IUPAC5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCCN1CCc2[nH]cnc2C12CCN(Cc1cnn(CC)c1C)CC2
InChIInChI=1S/C21H34N6/c1-4-6-10-26-11-7-19-20(23-16-22-19)21(26)8-12-25(13-9-21)15-18-14-24-27(5-2)17(18)3/h14,16H,4-13,15H2,1-3H3,(H,22,23)
InChIKeyNGJMPPHHCLPHJY-UHFFFAOYSA-N
MW370.55 g/mol
LogP3.08
Rot. Bonds6

About 5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 72931768) has the molecular formula C21H34N6 and a molecular weight of 370.55 g/mol. Its IUPAC name is 5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID72931768
Molecular FormulaC21H34N6
Molecular Weight370.55 g/mol
Exact Mass370.28
IUPAC Name5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCCN1CCc2[nH]cnc2C12CCN(Cc1cnn(CC)c1C)CC2
InChIInChI=1S/C21H34N6/c1-4-6-10-26-11-7-19-20(23-16-22-19)21(26)8-12-25(13-9-21)15-18-14-24-27(5-2)17(18)3/h14,16H,4-13,15H2,1-3H3,(H,22,23)
InChIKeyNGJMPPHHCLPHJY-UHFFFAOYSA-N
XLogP3.08
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] 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-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 72931768) is 5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CCCCN1CCc2[nH]cnc2C12CCN(Cc1cnn(CC)c1C)CC2.
What is the InChIKey of 5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is NGJMPPHHCLPHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6/c1-4-6-10-26-11-7-19-20(23-16-22-19)21(26)8-12-25(13-9-21)15-18-14-24-27(5-2)17(18)3/h14,16H,4-13,15H2,1-3H3,(H,22,23).
What are the key properties of 5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 370.55 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 72931768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).