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

C22H34N6O2 — CID 154769132

IUPACtert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate
SMILESCC(C)n1cc(CN2CCc3[nH]cnc3C23CCN(C(=O)OC(C)(C)C)CC3)cn1
InChIInChI=1S/C22H34N6O2/c1-16(2)28-14-17(12-25-28)13-27-9-6-18-19(24-15-23-18)22(27)7-10-26(11-8-22)20(29)30-21(3,4)5/h12,14-16H,6-11,13H2,1-5H3,(H,23,24)
InChIKeyMLKBRIGHMCPOSF-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.47
Rot. Bonds3

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

tert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate (PubChem CID 154769132) has the molecular formula C22H34N6O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is tert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate
PubChem CID154769132
Molecular FormulaC22H34N6O2
Molecular Weight414.55 g/mol
Exact Mass414.27
IUPAC Nametert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate
SMILESCC(C)n1cc(CN2CCc3[nH]cnc3C23CCN(C(=O)OC(C)(C)C)CC3)cn1
InChIInChI=1S/C22H34N6O2/c1-16(2)28-14-17(12-25-28)13-27-9-6-18-19(24-15-23-18)22(27)7-10-26(11-8-22)20(29)30-21(3,4)5/h12,14-16H,6-11,13H2,1-5H3,(H,23,24)
InChIKeyMLKBRIGHMCPOSF-UHFFFAOYSA-N
XLogP3.47
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate (CID 154769132) is tert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate is CC(C)n1cc(CN2CCc3[nH]cnc3C23CCN(C(=O)OC(C)(C)C)CC3)cn1.
What is the InChIKey of tert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate?
The InChIKey is MLKBRIGHMCPOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O2/c1-16(2)28-14-17(12-25-28)13-27-9-6-18-19(24-15-23-18)22(27)7-10-26(11-8-22)20(29)30-21(3,4)5/h12,14-16H,6-11,13H2,1-5H3,(H,23,24).
What are the key properties of tert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate?
tert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate has a molecular weight of 414.55 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(1-propan-2-ylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 154769132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).