[2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone

C22H23N3O2S — CID 155496253

IUPAC[2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1cccc(-c2cc3c(s2)C2(CCN(C(=O)c4ccc[nH]4)CC2)OCC3)n1
InChIInChI=1S/C22H23N3O2S/c1-15-4-2-5-17(24-15)19-14-16-7-13-27-22(20(16)28-19)8-11-25(12-9-22)21(26)18-6-3-10-23-18/h2-6,10,14,23H,7-9,11-13H2,1H3
InChIKeyDRPQCRFXAOVEKA-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.15
Rot. Bonds2

About [2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone

[2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 155496253) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is [2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID155496253
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name[2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1cccc(-c2cc3c(s2)C2(CCN(C(=O)c4ccc[nH]4)CC2)OCC3)n1
InChIInChI=1S/C22H23N3O2S/c1-15-4-2-5-17(24-15)19-14-16-7-13-27-22(20(16)28-19)8-11-25(12-9-22)21(26)18-6-3-10-23-18/h2-6,10,14,23H,7-9,11-13H2,1H3
InChIKeyDRPQCRFXAOVEKA-UHFFFAOYSA-N
XLogP4.15
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-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-methyl-1,2-oxazol-5-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170511751
(2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 170509470
[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 170505239
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170512633
1'-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164693002
(3-hydroxycyclobutyl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170512368
1'-(2-aminopyridine-4-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 166615546
[(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170510703
2-(3,5-dimethylpyrazol-1-yl)-1-(2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethanone
CID 170509517
1'-(1-oxo-2,3-dihydroindene-4-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164695522
2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 155508041
(2,4-dimethyl-1,3-thiazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135095839

Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone (CID 155496253) is [2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone is Cc1cccc(-c2cc3c(s2)C2(CCN(C(=O)c4ccc[nH]4)CC2)OCC3)n1.
What is the InChIKey of [2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is DRPQCRFXAOVEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15-4-2-5-17(24-15)19-14-16-7-13-27-22(20(16)28-19)8-11-25(12-9-22)21(26)18-6-3-10-23-18/h2-6,10,14,23H,7-9,11-13H2,1H3.
What are the key properties of [2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone?
[2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 393.51 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 155496253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).