1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C21H34N6 — CID 72871590

IUPAC1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCN1CCc2[nH]cnc2C12CCN(Cc1cc(C(C)(C)C)n[nH]1)CC2
InChIInChI=1S/C21H34N6/c1-5-9-27-10-6-17-19(23-15-22-17)21(27)7-11-26(12-8-21)14-16-13-18(25-24-16)20(2,3)4/h13,15H,5-12,14H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyOKDIVEMPXGNEBU-UHFFFAOYSA-N
MW370.55 g/mol
LogP3.19
Rot. Bonds4

About 1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 72871590) has the molecular formula C21H34N6 and a molecular weight of 370.55 g/mol. Its IUPAC name is 1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID72871590
Molecular FormulaC21H34N6
Molecular Weight370.55 g/mol
Exact Mass370.28
IUPAC Name1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCN1CCc2[nH]cnc2C12CCN(Cc1cc(C(C)(C)C)n[nH]1)CC2
InChIInChI=1S/C21H34N6/c1-5-9-27-10-6-17-19(23-15-22-17)21(27)7-11-26(12-8-21)14-16-13-18(25-24-16)20(2,3)4/h13,15H,5-12,14H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyOKDIVEMPXGNEBU-UHFFFAOYSA-N
XLogP3.19
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 72871590) is 1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CCCN1CCc2[nH]cnc2C12CCN(Cc1cc(C(C)(C)C)n[nH]1)CC2.
What is the InChIKey of 1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is OKDIVEMPXGNEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6/c1-5-9-27-10-6-17-19(23-15-22-17)21(27)7-11-26(12-8-21)14-16-13-18(25-24-16)20(2,3)4/h13,15H,5-12,14H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[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, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 72871590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).