5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C21H28N6S — CID 72866458

IUPAC5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCN1CCc2[nH]cnc2C12CCN(Cc1ccc(-c3ccn[nH]3)s1)CC2
InChIInChI=1S/C21H28N6S/c1-2-10-27-11-6-18-20(23-15-22-18)21(27)7-12-26(13-8-21)14-16-3-4-19(28-16)17-5-9-24-25-17/h3-5,9,15H,2,6-8,10-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyWEDAHBQAXLCPPP-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.62
Rot. Bonds5

About 5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 72866458) has the molecular formula C21H28N6S and a molecular weight of 396.56 g/mol. Its IUPAC name is 5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID72866458
Molecular FormulaC21H28N6S
Molecular Weight396.56 g/mol
Exact Mass396.21
IUPAC Name5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCN1CCc2[nH]cnc2C12CCN(Cc1ccc(-c3ccn[nH]3)s1)CC2
InChIInChI=1S/C21H28N6S/c1-2-10-27-11-6-18-20(23-15-22-18)21(27)7-12-26(13-8-21)14-16-3-4-19(28-16)17-5-9-24-25-17/h3-5,9,15H,2,6-8,10-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyWEDAHBQAXLCPPP-UHFFFAOYSA-N
XLogP3.62
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 72866458) is 5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CCCN1CCc2[nH]cnc2C12CCN(Cc1ccc(-c3ccn[nH]3)s1)CC2.
What is the InChIKey of 5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is WEDAHBQAXLCPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6S/c1-2-10-27-11-6-18-20(23-15-22-18)21(27)7-12-26(13-8-21)14-16-3-4-19(28-16)17-5-9-24-25-17/h3-5,9,15H,2,6-8,10-14H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 396.56 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 72866458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).