[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone

C19H21N5OS — CID 97410444

IUPAC[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
SMILESCn1nccc1-c1cnc2n1CCC21CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H21N5OS/c1-22-14(4-8-21-22)15-13-20-18-19(7-11-24(15)18)5-9-23(10-6-19)17(25)16-3-2-12-26-16/h2-4,8,12-13H,5-7,9-11H2,1H3
InChIKeyPERPQIIFPACZOX-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.92
Rot. Bonds2

About [3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone

[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone (PubChem CID 97410444) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is [3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
PubChem CID97410444
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
SMILESCn1nccc1-c1cnc2n1CCC21CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H21N5OS/c1-22-14(4-8-21-22)15-13-20-18-19(7-11-24(15)18)5-9-23(10-6-19)17(25)16-3-2-12-26-16/h2-4,8,12-13H,5-7,9-11H2,1H3
InChIKeyPERPQIIFPACZOX-UHFFFAOYSA-N
XLogP2.92
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
CID 97410445
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone
CID 97361072
2-(2-methylpyrazol-3-yl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155865320
(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155849750
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone
CID 131672243
2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131648158
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone
CID 97370689
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone
CID 91915566
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone (CID 97410444) is [3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone is Cn1nccc1-c1cnc2n1CCC21CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone?
The InChIKey is PERPQIIFPACZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-22-14(4-8-21-22)15-13-20-18-19(7-11-24(15)18)5-9-23(10-6-19)17(25)16-3-2-12-26-16/h2-4,8,12-13H,5-7,9-11H2,1H3.
What are the key properties of [3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone?
[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone has a molecular weight of 367.48 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97410444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).