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

C28H28N4OS — CID 46346878

IUPAC(4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone
SMILESCc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCN(Cc4ccccc4)CC3)cc1CC2
InChIInChI=1S/C28H28N4OS/c1-20-26-24(32(29-20)23-10-6-3-7-11-23)13-12-22-18-25(34-27(22)26)28(33)31-16-14-30(15-17-31)19-21-8-4-2-5-9-21/h2-11,18H,12-17,19H2,1H3
InChIKeyMPAMUEYSWWFDRY-UHFFFAOYSA-N
MW468.63 g/mol
LogP4.97
Rot. Bonds4

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

(4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone (PubChem CID 46346878) has the molecular formula C28H28N4OS and a molecular weight of 468.63 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone
PubChem CID46346878
Molecular FormulaC28H28N4OS
Molecular Weight468.63 g/mol
Exact Mass468.20
IUPAC Name(4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone
SMILESCc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCN(Cc4ccccc4)CC3)cc1CC2
InChIInChI=1S/C28H28N4OS/c1-20-26-24(32(29-20)23-10-6-3-7-11-23)13-12-22-18-25(34-27(22)26)28(33)31-16-14-30(15-17-31)19-21-8-4-2-5-9-21/h2-11,18H,12-17,19H2,1H3
InChIKeyMPAMUEYSWWFDRY-UHFFFAOYSA-N
XLogP4.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone with MolForge

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Related Compounds

(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-pyrrolidin-1-ylmethanone
CID 20963326
(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 46346869
(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815
(4-benzylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685910
(4-benzylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 42880815
(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2021812
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 9148223
[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226422
N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide
CID 36520985
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46422149
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226250

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone (CID 46346878) is (4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone is Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCN(Cc4ccccc4)CC3)cc1CC2.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone?
The InChIKey is MPAMUEYSWWFDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4OS/c1-20-26-24(32(29-20)23-10-6-3-7-11-23)13-12-22-18-25(34-27(22)26)28(33)31-16-14-30(15-17-31)19-21-8-4-2-5-9-21/h2-11,18H,12-17,19H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone?
(4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone has a molecular weight of 468.63 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone is sourced from PubChem (CID 46346878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).