1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one

C19H28N6O — CID 72927574

IUPAC1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)CCn1cccn1)CC2
InChIInChI=1S/C19H28N6O/c1-2-9-24-11-4-16-18(21-15-20-16)19(24)6-13-23(14-7-19)17(26)5-12-25-10-3-8-22-25/h3,8,10,15H,2,4-7,9,11-14H2,1H3,(H,20,21)
InChIKeySVUKLLXTEKVPIK-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.78
Rot. Bonds5

About 1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one

1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 72927574) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
PubChem CID72927574
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)CCn1cccn1)CC2
InChIInChI=1S/C19H28N6O/c1-2-9-24-11-4-16-18(21-15-20-16)19(24)6-13-23(14-7-19)17(26)5-12-25-10-3-8-22-25/h3,8,10,15H,2,4-7,9,11-14H2,1H3,(H,20,21)
InChIKeySVUKLLXTEKVPIK-UHFFFAOYSA-N
XLogP1.78
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one (CID 72927574) is 1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one is CCCN1CCc2[nH]cnc2C12CCN(C(=O)CCn1cccn1)CC2.
What is the InChIKey of 1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is SVUKLLXTEKVPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-2-9-24-11-4-16-18(21-15-20-16)19(24)6-13-23(14-7-19)17(26)5-12-25-10-3-8-22-25/h3,8,10,15H,2,4-7,9,11-14H2,1H3,(H,20,21).
What are the key properties of 1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 356.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 72927574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).