(6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone

C20H20N4OS — CID 131672243

IUPAC(6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone
SMILESCc1cccc(C(=O)N2CCC3(CCn4c(-c5cccs5)cnc43)C2)n1
InChIInChI=1S/C20H20N4OS/c1-14-4-2-5-15(22-14)18(25)23-9-7-20(13-23)8-10-24-16(12-21-19(20)24)17-6-3-11-26-17/h2-6,11-12H,7-10,13H2,1H3
InChIKeyKGUSTROQFBNOCV-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.50
Rot. Bonds2

About (6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone

(6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone (PubChem CID 131672243) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone
PubChem CID131672243
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name(6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone
SMILESCc1cccc(C(=O)N2CCC3(CCn4c(-c5cccs5)cnc43)C2)n1
InChIInChI=1S/C20H20N4OS/c1-14-4-2-5-15(22-14)18(25)23-9-7-20(13-23)8-10-24-16(12-21-19(20)24)17-6-3-11-26-17/h2-6,11-12H,7-10,13H2,1H3
InChIKeyKGUSTROQFBNOCV-UHFFFAOYSA-N
XLogP3.50
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
CID 97410444
(1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
CID 131672643
9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131651209
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 99992334
(5R)-7-(cyclohexylmethyl)-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26331163
2-(2-methoxyethyl)-8-(6-methylpyridine-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370193
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 56882248
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120806158
(6-methyl-2-pyridinyl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56880944
2-methyl-8-(6-methylpyridine-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155836822
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 125008823
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 103726970

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone (CID 131672243) is (6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone is Cc1cccc(C(=O)N2CCC3(CCn4c(-c5cccs5)cnc43)C2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone?
The InChIKey is KGUSTROQFBNOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-14-4-2-5-15(22-14)18(25)23-9-7-20(13-23)8-10-24-16(12-21-19(20)24)17-6-3-11-26-17/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone?
(6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone has a molecular weight of 364.47 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone is sourced from PubChem (CID 131672243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).