1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C21H32N6O — CID 72854296

IUPAC1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2CC(C)C
InChIInChI=1S/C21H32N6O/c1-16(2)14-26-10-5-18-20(23-15-22-18)21(26)7-12-25(13-8-21)19(28)6-11-27-17(3)4-9-24-27/h4,9,15-16H,5-8,10-14H2,1-3H3,(H,22,23)
InChIKeyFSEWGDJVWKMMBK-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.34
Rot. Bonds5

About 1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 72854296) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID72854296
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2CC(C)C
InChIInChI=1S/C21H32N6O/c1-16(2)14-26-10-5-18-20(23-15-22-18)21(26)7-12-25(13-8-21)19(28)6-11-27-17(3)4-9-24-27/h4,9,15-16H,5-8,10-14H2,1-3H3,(H,22,23)
InChIKeyFSEWGDJVWKMMBK-UHFFFAOYSA-N
XLogP2.34
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 72854296) is 1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2CC(C)C.
What is the InChIKey of 1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is FSEWGDJVWKMMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-16(2)14-26-10-5-18-20(23-15-22-18)21(26)7-12-25(13-8-21)19(28)6-11-27-17(3)4-9-24-27/h4,9,15-16H,5-8,10-14H2,1-3H3,(H,22,23).
What are the key properties of 1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 384.53 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 72854296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).