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

C22H32N6O — CID 72911146

IUPACcyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESCC(C)Cc1cc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)[nH]n1
InChIInChI=1S/C22H32N6O/c1-15(2)11-17-12-18(26-25-17)13-27-9-6-22(7-10-27)20-19(23-14-24-20)5-8-28(22)21(29)16-3-4-16/h12,14-16H,3-11,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyHFEHUXJOUIXPQS-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.62
Rot. Bonds5

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

cyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (PubChem CID 72911146) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is cyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
PubChem CID72911146
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Namecyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESCC(C)Cc1cc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)[nH]n1
InChIInChI=1S/C22H32N6O/c1-15(2)11-17-12-18(26-25-17)13-27-9-6-22(7-10-27)20-19(23-14-24-20)5-8-28(22)21(29)16-3-4-16/h12,14-16H,3-11,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyHFEHUXJOUIXPQS-UHFFFAOYSA-N
XLogP2.62
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The IUPAC name of cyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (CID 72911146) is cyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The canonical SMILES for cyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is CC(C)Cc1cc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)[nH]n1.
What is the InChIKey of cyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The InChIKey is HFEHUXJOUIXPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-15(2)11-17-12-18(26-25-17)13-27-9-6-22(7-10-27)20-19(23-14-24-20)5-8-28(22)21(29)16-3-4-16/h12,14-16H,3-11,13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of cyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
cyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone has a molecular weight of 396.54 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1'-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is sourced from PubChem (CID 72911146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).