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

C21H34N6 — CID 72926984

IUPAC5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCC(C)CN1CCc2[nH]cnc2C12CCN(Cc1cnn(C(C)C)c1)CC2
InChIInChI=1S/C21H34N6/c1-16(2)12-26-8-5-19-20(23-15-22-19)21(26)6-9-25(10-7-21)13-18-11-24-27(14-18)17(3)4/h11,14-17H,5-10,12-13H2,1-4H3,(H,22,23)
InChIKeyAQIXYQLEOMCRBB-UHFFFAOYSA-N
MW370.55 g/mol
LogP3.19
Rot. Bonds5

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

5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 72926984) has the molecular formula C21H34N6 and a molecular weight of 370.55 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID72926984
Molecular FormulaC21H34N6
Molecular Weight370.55 g/mol
Exact Mass370.28
IUPAC Name5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCC(C)CN1CCc2[nH]cnc2C12CCN(Cc1cnn(C(C)C)c1)CC2
InChIInChI=1S/C21H34N6/c1-16(2)12-26-8-5-19-20(23-15-22-19)21(26)6-9-25(10-7-21)13-18-11-24-27(14-18)17(3)4/h11,14-17H,5-10,12-13H2,1-4H3,(H,22,23)
InChIKeyAQIXYQLEOMCRBB-UHFFFAOYSA-N
XLogP3.19
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 72926984) is 5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CC(C)CN1CCc2[nH]cnc2C12CCN(Cc1cnn(C(C)C)c1)CC2.
What is the InChIKey of 5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is AQIXYQLEOMCRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6/c1-16(2)12-26-8-5-19-20(23-15-22-19)21(26)6-9-25(10-7-21)13-18-11-24-27(14-18)17(3)4/h11,14-17H,5-10,12-13H2,1-4H3,(H,22,23).
What are the key properties of 5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 370.55 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1'-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 72926984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).