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

C22H27FN4O2 — CID 72856407

IUPACcyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESCOc1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c(F)c1
InChIInChI=1S/C22H27FN4O2/c1-29-17-5-4-16(18(23)12-17)13-26-10-7-22(8-11-26)20-19(24-14-25-20)6-9-27(22)21(28)15-2-3-15/h4-5,12,14-15H,2-3,6-11,13H2,1H3,(H,24,25)
InChIKeyWGGSXSBCHLHAHL-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.84
Rot. Bonds4

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

cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (PubChem CID 72856407) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
PubChem CID72856407
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Namecyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESCOc1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c(F)c1
InChIInChI=1S/C22H27FN4O2/c1-29-17-5-4-16(18(23)12-17)13-26-10-7-22(8-11-26)20-19(24-14-25-20)6-9-27(22)21(28)15-2-3-15/h4-5,12,14-15H,2-3,6-11,13H2,1H3,(H,24,25)
InChIKeyWGGSXSBCHLHAHL-UHFFFAOYSA-N
XLogP2.84
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72923482
cyclopropyl-[1'-[(5-methyl-1H-imidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72856509
[1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
CID 72911933
cyclopropyl-[1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72857907
cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72865432
cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72906459
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
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone
CID 72880408
1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72847494
[1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
CID 97273723
(2R)-1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-methoxybutan-1-one
CID 97124769
(4S)-4-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one
CID 97286630

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The IUPAC name of cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (CID 72856407) is cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)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'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The canonical SMILES for cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is COc1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c(F)c1.
What is the InChIKey of cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The InChIKey is WGGSXSBCHLHAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-29-17-5-4-16(18(23)12-17)13-26-10-7-22(8-11-26)20-19(24-14-25-20)6-9-27(22)21(28)15-2-3-15/h4-5,12,14-15H,2-3,6-11,13H2,1H3,(H,24,25).
What are the key properties of cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone has a molecular weight of 398.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is sourced from PubChem (CID 72856407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).