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

C19H28N6O — CID 72931477

IUPAC[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cnn(C)c1)CC2
InChIInChI=1S/C19H28N6O/c1-14(2)11-25-7-4-16-17(21-13-20-16)19(25)5-8-24(9-6-19)18(26)15-10-22-23(3)12-15/h10,12-14H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyIEORKAHZAMXQMM-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.79
Rot. Bonds3

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

[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 72931477) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID72931477
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cnn(C)c1)CC2
InChIInChI=1S/C19H28N6O/c1-14(2)11-25-7-4-16-17(21-13-20-16)19(25)5-8-24(9-6-19)18(26)15-10-22-23(3)12-15/h10,12-14H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyIEORKAHZAMXQMM-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 [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone (CID 72931477) is [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone is CC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cnn(C)c1)CC2.
What is the InChIKey of [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is IEORKAHZAMXQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14(2)11-25-7-4-16-17(21-13-20-16)19(25)5-8-24(9-6-19)18(26)15-10-22-23(3)12-15/h10,12-14H,4-9,11H2,1-3H3,(H,20,21).
What are the key properties of [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone?
[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-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 [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 72931477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).