[5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone

C26H20N4OS — CID 146918558

IUPAC[5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone
SMILESCC1=Nc2ccc(-n3ncc(C(=O)C4=Cc5ccc(-c6cccs6)cc5C4)c3N)cc2C1
InChIInChI=1S/C26H20N4OS/c1-15-9-19-13-21(6-7-23(19)29-15)30-26(27)22(14-28-30)25(31)20-10-16-4-5-17(11-18(16)12-20)24-3-2-8-32-24/h2-8,10-11,13-14H,9,12,27H2,1H3
InChIKeyACSJFGIVTWLJFE-UHFFFAOYSA-N
MW436.54 g/mol
LogP5.65
Rot. Bonds4

About [5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone

[5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone (PubChem CID 146918558) has the molecular formula C26H20N4OS and a molecular weight of 436.54 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone
PubChem CID146918558
Molecular FormulaC26H20N4OS
Molecular Weight436.54 g/mol
Exact Mass436.14
IUPAC Name[5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone
SMILESCC1=Nc2ccc(-n3ncc(C(=O)C4=Cc5ccc(-c6cccs6)cc5C4)c3N)cc2C1
InChIInChI=1S/C26H20N4OS/c1-15-9-19-13-21(6-7-23(19)29-15)30-26(27)22(14-28-30)25(31)20-10-16-4-5-17(11-18(16)12-20)24-3-2-8-32-24/h2-8,10-11,13-14H,9,12,27H2,1H3
InChIKeyACSJFGIVTWLJFE-UHFFFAOYSA-N
XLogP5.65
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone
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[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5H-cyclopenta[f][1,3]benzodioxol-6-yl)methanone
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[5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone
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[5-amino-1-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-4-yl]-[5-fluoro-6-(methylsulfonylmethyl)-1H-inden-2-yl]methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone
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[5-amino-1-(4-methylsulfonylphenyl)pyrazol-4-yl]-thiophen-2-ylmethanone
CID 91871233
6-[2-[5-amino-1-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 149098223
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone
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ethyl (1S)-7-thiophen-2-yl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate
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[5-amino-1-[4-(3-fluorophenoxy)phenyl]pyrazol-4-yl]-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-1H-inden-2-yl]methanone
CID 161151834

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone (CID 146918558) is [5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone is CC1=Nc2ccc(-n3ncc(C(=O)C4=Cc5ccc(-c6cccs6)cc5C4)c3N)cc2C1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone?
The InChIKey is ACSJFGIVTWLJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4OS/c1-15-9-19-13-21(6-7-23(19)29-15)30-26(27)22(14-28-30)25(31)20-10-16-4-5-17(11-18(16)12-20)24-3-2-8-32-24/h2-8,10-11,13-14H,9,12,27H2,1H3.
What are the key properties of [5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone?
[5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone has a molecular weight of 436.54 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone is sourced from PubChem (CID 146918558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).