5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C21H32N4O — CID 72918214

IUPAC5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCN1CCc2[nH]cnc2C12CCN(CCC(C)c1ccc(C)o1)CC2
InChIInChI=1S/C21H32N4O/c1-4-25-12-8-18-20(23-15-22-18)21(25)9-13-24(14-10-21)11-7-16(2)19-6-5-17(3)26-19/h5-6,15-16H,4,7-14H2,1-3H3,(H,22,23)
InChIKeyDSRGQRKDVRBTOK-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.67
Rot. Bonds5

About 5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 72918214) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID72918214
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCN1CCc2[nH]cnc2C12CCN(CCC(C)c1ccc(C)o1)CC2
InChIInChI=1S/C21H32N4O/c1-4-25-12-8-18-20(23-15-22-18)21(25)9-13-24(14-10-21)11-7-16(2)19-6-5-17(3)26-19/h5-6,15-16H,4,7-14H2,1-3H3,(H,22,23)
InChIKeyDSRGQRKDVRBTOK-UHFFFAOYSA-N
XLogP3.67
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 97117172
5-[(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 72906237
3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole
CID 72854623
1-ethyl-8-[3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45161254
5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72854207
5-ethyl-1'-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72840375
5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72931768
5-ethyl-1'-quinolin-4-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72845819
5-methyl-3-[[4-[(3S)-3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99927931
[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72901157
4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole
CID 72920667
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 72918214) is 5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CCN1CCc2[nH]cnc2C12CCN(CCC(C)c1ccc(C)o1)CC2.
What is the InChIKey of 5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is DSRGQRKDVRBTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-4-25-12-8-18-20(23-15-22-18)21(25)9-13-24(14-10-21)11-7-16(2)19-6-5-17(3)26-19/h5-6,15-16H,4,7-14H2,1-3H3,(H,22,23).
What are the key properties of 5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 356.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1'-[3-(5-methylfuran-2-yl)butyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 72918214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).