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

C23H25N3OS — CID 46346869

IUPAC(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCC(C)CC3)cc1CC2
InChIInChI=1S/C23H25N3OS/c1-15-10-12-25(13-11-15)23(27)20-14-17-8-9-19-21(22(17)28-20)16(2)24-26(19)18-6-4-3-5-7-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyKYDRKRWNEKHGAF-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.88
Rot. Bonds2

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

(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 46346869) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID46346869
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCC(C)CC3)cc1CC2
InChIInChI=1S/C23H25N3OS/c1-15-10-12-25(13-11-15)23(27)20-14-17-8-9-19-21(22(17)28-20)16(2)24-26(19)18-6-4-3-5-7-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyKYDRKRWNEKHGAF-UHFFFAOYSA-N
XLogP4.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-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
(4-benzylpiperazin-1-yl)-(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)methanone
CID 46346878
8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide
CID 20963350
(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2021812
(8-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 24720302
N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 42408226
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
CID 2562324
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036
4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561069
(2,6-dimethylmorpholin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 4083726

Frequently Asked Questions

What is the IUPAC name of (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 46346869) is (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone is Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCC(C)CC3)cc1CC2.
What is the InChIKey of (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is KYDRKRWNEKHGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-15-10-12-25(13-11-15)23(27)20-14-17-8-9-19-21(22(17)28-20)16(2)24-26(19)18-6-4-3-5-7-18/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of (8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
(8-methyl-6-phenyl-4,5-dihydrothieno[2,3-e]indazol-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 391.54 g/mol, XLogP of 4.88, 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)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46346869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).