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

C19H28N6O — CID 72930282

IUPAC(3-methylimidazol-4-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
SMILESCC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cncn1C)CC2
InChIInChI=1S/C19H28N6O/c1-14(2)11-25-7-4-15-17(22-12-21-15)19(25)5-8-24(9-6-19)18(26)16-10-20-13-23(16)3/h10,12-14H,4-9,11H2,1-3H3,(H,21,22)
InChIKeyVWKADUHUUJMFPL-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.79
Rot. Bonds3

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

(3-methylimidazol-4-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone (PubChem CID 72930282) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
PubChem CID72930282
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name(3-methylimidazol-4-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
SMILESCC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cncn1C)CC2
InChIInChI=1S/C19H28N6O/c1-14(2)11-25-7-4-15-17(22-12-21-15)19(25)5-8-24(9-6-19)18(26)16-10-20-13-23(16)3/h10,12-14H,4-9,11H2,1-3H3,(H,21,22)
InChIKeyVWKADUHUUJMFPL-UHFFFAOYSA-N
XLogP1.79
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The IUPAC name of (3-methylimidazol-4-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone (CID 72930282) is (3-methylimidazol-4-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 (3-methylimidazol-4-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone is CC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cncn1C)CC2.
What is the InChIKey of (3-methylimidazol-4-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The InChIKey is VWKADUHUUJMFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14(2)11-25-7-4-15-17(22-12-21-15)19(25)5-8-24(9-6-19)18(26)16-10-20-13-23(16)3/h10,12-14H,4-9,11H2,1-3H3,(H,21,22).
What are the key properties of (3-methylimidazol-4-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
(3-methylimidazol-4-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 356.47 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-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 72930282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).