[5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone

C20H31N5O — CID 74229993

IUPAC[5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC(C)=CCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1)CC2
InChIInChI=1S/C20H31N5O/c1-15(2)5-10-25-11-6-16-18(23-14-22-16)20(25)7-12-24(13-8-20)19(26)17-4-3-9-21-17/h5,14,17,21H,3-4,6-13H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeySBTAVMIQNOJLRY-KRWDZBQOSA-N
MW357.50 g/mol
LogP1.80
Rot. Bonds3

About [5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone

[5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 74229993) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is [5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID74229993
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name[5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC(C)=CCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1)CC2
InChIInChI=1S/C20H31N5O/c1-15(2)5-10-25-11-6-16-18(23-14-22-16)20(25)7-12-24(13-8-20)19(26)17-4-3-9-21-17/h5,14,17,21H,3-4,6-13H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeySBTAVMIQNOJLRY-KRWDZBQOSA-N
XLogP1.80
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl-[1'-[(2S)-pyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone;dihydrochloride
CID 154899418
(1-ethyl-5-methylpyrazol-4-yl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72890289
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
CID 72929853
1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72940050
2-(4,5-dimethylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
CID 72862494
2-methoxy-1-[1'-(oxane-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72908365
2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 97119139
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 106313965
2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 97270200
1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone
CID 72886657
cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 97117469
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
CID 72861999

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 74229993) is [5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone is CC(C)=CCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1)CC2.
What is the InChIKey of [5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is SBTAVMIQNOJLRY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N5O/c1-15(2)5-10-25-11-6-16-18(23-14-22-16)20(25)7-12-24(13-8-20)19(26)17-4-3-9-21-17/h5,14,17,21H,3-4,6-13H2,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of [5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbut-2-enyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 74229993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).