(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone

C21H21N3OS — CID 20963326

IUPAC(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCCC3)cc1CC2
InChIInChI=1S/C21H21N3OS/c1-14-19-17(24(22-14)16-7-3-2-4-8-16)10-9-15-13-18(26-20(15)19)21(25)23-11-5-6-12-23/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeySLTFAEKUIWVAPD-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.24
Rot. Bonds2

About (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone

(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 20963326) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID20963326
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCCC3)cc1CC2
InChIInChI=1S/C21H21N3OS/c1-14-19-17(24(22-14)16-7-3-2-4-8-16)10-9-15-13-18(26-20(15)19)21(25)23-11-5-6-12-23/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeySLTFAEKUIWVAPD-UHFFFAOYSA-N
XLogP4.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 46346869
(4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone
CID 46346878
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide
CID 20963350
(4-methyl-1,4-diazepan-4-ium-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2097564
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
(3S)-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 68819817
(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 60510046
azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 9036569
N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 42408226
(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2021812
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762

Frequently Asked Questions

What is the IUPAC name of (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone (CID 20963326) is (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone is Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCCC3)cc1CC2.
What is the InChIKey of (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is SLTFAEKUIWVAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-14-19-17(24(22-14)16-7-3-2-4-8-16)10-9-15-13-18(26-20(15)19)21(25)23-11-5-6-12-23/h2-4,7-8,13H,5-6,9-12H2,1H3.
What are the key properties of (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone?
(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 363.49 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 20963326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).