1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C23H31FN4 — CID 91940477

IUPAC1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCC(C)CN1CCc2[nH]cnc2C12CCN(CC=Cc1ccc(F)cc1)CC2
InChIInChI=1S/C23H31FN4/c1-18(2)16-28-13-9-21-22(26-17-25-21)23(28)10-14-27(15-11-23)12-3-4-19-5-7-20(24)8-6-19/h3-8,17-18H,9-16H2,1-2H3,(H,25,26)
InChIKeyZCNRFSVGIGALJZ-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.07
Rot. Bonds5

About 1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 91940477) has the molecular formula C23H31FN4 and a molecular weight of 382.53 g/mol. Its IUPAC name is 1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID91940477
Molecular FormulaC23H31FN4
Molecular Weight382.53 g/mol
Exact Mass382.25
IUPAC Name1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCC(C)CN1CCc2[nH]cnc2C12CCN(CC=Cc1ccc(F)cc1)CC2
InChIInChI=1S/C23H31FN4/c1-18(2)16-28-13-9-21-22(26-17-25-21)23(28)10-14-27(15-11-23)12-3-4-19-5-7-20(24)8-6-19/h3-8,17-18H,9-16H2,1-2H3,(H,25,26)
InChIKeyZCNRFSVGIGALJZ-UHFFFAOYSA-N
XLogP4.07
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 91940477) is 1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CC(C)CN1CCc2[nH]cnc2C12CCN(CC=Cc1ccc(F)cc1)CC2.
What is the InChIKey of 1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is ZCNRFSVGIGALJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4/c1-18(2)16-28-13-9-21-22(26-17-25-21)23(28)10-14-27(15-11-23)12-3-4-19-5-7-20(24)8-6-19/h3-8,17-18H,9-16H2,1-2H3,(H,25,26).
What are the key properties of 1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 382.53 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 91940477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).