N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide

C24H24N4O2S — CID 166046733

IUPACN-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3ccc(C(=O)NCCC(C)c4ccccc4)s3)ccc12
InChIInChI=1S/C24H24N4O2S/c1-15(16-6-4-3-5-7-16)12-13-26-23(29)21-11-10-20(31-21)17-8-9-18-19(14-17)27-28-22(18)24(30)25-2/h3-11,14-15H,12-13H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)
InChIKeyYWZFHOTUBSNTST-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.57
Rot. Bonds7

About N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide

N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide (PubChem CID 166046733) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide
PubChem CID166046733
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3ccc(C(=O)NCCC(C)c4ccccc4)s3)ccc12
InChIInChI=1S/C24H24N4O2S/c1-15(16-6-4-3-5-7-16)12-13-26-23(29)21-11-10-20(31-21)17-8-9-18-19(14-17)27-28-22(18)24(30)25-2/h3-11,14-15H,12-13H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)
InChIKeyYWZFHOTUBSNTST-UHFFFAOYSA-N
XLogP4.57
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-[[3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]thiophen-3-yl]-N-methyl-1H-indazole-3-carboxamide
CID 170334323
N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-methyl-2-[3-(methylcarbamoyl)-1H-indazol-6-yl]-1,3-thiazole-5-carboxamide
CID 166046707
N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide
CID 89412129
N-[3-(4-chlorophenyl)-3-hydroxypropyl]-4-methyl-2-[3-(methylcarbamoyl)-1H-indazol-6-yl]-1,3-thiazole-5-carboxamide
CID 166046723
N-(3-phenylbutyl)benzamide
CID 62403316
N-(3-aminobutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide;hydrochloride
CID 119498871
5-chloro-N-(3-phenylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619556
N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 164633867
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359
tert-butyl 3-[[5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-2-(trideuteriomethoxy)pyridine-3-carbonyl]amino]propanoate
CID 175664700
6-phenyl-1H-indazole-3-carboxylic acid
CID 74892779

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide (CID 166046733) is N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3ccc(C(=O)NCCC(C)c4ccccc4)s3)ccc12.
What is the InChIKey of N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is YWZFHOTUBSNTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15(16-6-4-3-5-7-16)12-13-26-23(29)21-11-10-20(31-21)17-8-9-18-19(14-17)27-28-22(18)24(30)25-2/h3-11,14-15H,12-13H2,1-2H3,(H,25,30)(H,26,29)(H,27,28).
What are the key properties of N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide?
N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166046733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).