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

C20H24N4O2S — CID 72854553

IUPACcyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)s1
InChIInChI=1S/C20H24N4O2S/c1-13-2-5-16(27-13)19(26)23-10-7-20(8-11-23)17-15(21-12-22-17)6-9-24(20)18(25)14-3-4-14/h2,5,12,14H,3-4,6-11H2,1H3,(H,21,22)
InChIKeySPYQXDZBYSCTFS-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.71
Rot. Bonds2

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

cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (PubChem CID 72854553) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
PubChem CID72854553
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Namecyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)s1
InChIInChI=1S/C20H24N4O2S/c1-13-2-5-16(27-13)19(26)23-10-7-20(8-11-23)17-15(21-12-22-17)6-9-24(20)18(25)14-3-4-14/h2,5,12,14H,3-4,6-11H2,1H3,(H,21,22)
InChIKeySPYQXDZBYSCTFS-UHFFFAOYSA-N
XLogP2.71
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72922691
cyclopropyl-[1'-(6-methylpyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72924359
cyclopropyl-[1'-(2,5-dimethylbenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72869878
cyclopropyl-[1'-[(5R)-3-methyl-4,5-dihydro-1,2-oxazole-5-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 97279962
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
cyclopropyl-[1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72915215
(4S)-4-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one
CID 97286630
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 72905014
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone
CID 72880408
(2S)-1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 97272172
1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72905682
cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 97117469

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The IUPAC name of cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (CID 72854553) is cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The canonical SMILES for cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is Cc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)s1.
What is the InChIKey of cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The InChIKey is SPYQXDZBYSCTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-2-5-16(27-13)19(26)23-10-7-20(8-11-23)17-15(21-12-22-17)6-9-24(20)18(25)14-3-4-14/h2,5,12,14H,3-4,6-11H2,1H3,(H,21,22).
What are the key properties of cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone has a molecular weight of 384.51 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is sourced from PubChem (CID 72854553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).