1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

C20H28N4OS — CID 93068846

IUPAC1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESC[C@@H]1CCCN(CCCNC(=O)c2nn(C)c3c2CCc2sccc2-3)C1
InChIInChI=1S/C20H28N4OS/c1-14-5-3-10-24(13-14)11-4-9-21-20(25)18-16-6-7-17-15(8-12-26-17)19(16)23(2)22-18/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyPDWAEWTWZKSESO-CQSZACIVSA-N
MW372.54 g/mol
LogP3.10
Rot. Bonds5

About 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (PubChem CID 93068846) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
PubChem CID93068846
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESC[C@@H]1CCCN(CCCNC(=O)c2nn(C)c3c2CCc2sccc2-3)C1
InChIInChI=1S/C20H28N4OS/c1-14-5-3-10-24(13-14)11-4-9-21-20(25)18-16-6-7-17-15(8-12-26-17)19(16)23(2)22-18/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyPDWAEWTWZKSESO-CQSZACIVSA-N
XLogP3.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(3-morpholin-4-ylpropyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 46340969
N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948522
1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 93068839
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-[5-(3-methylpiperidin-1-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 163542403
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517079
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide
CID 86832223
2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119852710

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (CID 93068846) is 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is C[C@@H]1CCCN(CCCNC(=O)c2nn(C)c3c2CCc2sccc2-3)C1.
What is the InChIKey of 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The InChIKey is PDWAEWTWZKSESO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-14-5-3-10-24(13-14)11-4-9-21-20(25)18-16-6-7-17-15(8-12-26-17)19(16)23(2)22-18/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,21,25)/t14-/m1/s1.
What are the key properties of 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is sourced from PubChem (CID 93068846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).