[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone

C28H31N7O2 — CID 159988683

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)C4=Cc5ccc(OCCN6CCN(C)CC6)cc5C4)c3N)cc2[nH]1
InChIInChI=1S/C28H31N7O2/c1-18-31-25-6-4-22(16-26(25)32-18)35-28(29)24(17-30-35)27(36)21-13-19-3-5-23(15-20(19)14-21)37-12-11-34-9-7-33(2)8-10-34/h3-6,13,15-17H,7-12,14,29H2,1-2H3,(H,31,32)
InChIKeyOGQXEMFCNUYWNL-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.09
Rot. Bonds7

About [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone (PubChem CID 159988683) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone
PubChem CID159988683
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)C4=Cc5ccc(OCCN6CCN(C)CC6)cc5C4)c3N)cc2[nH]1
InChIInChI=1S/C28H31N7O2/c1-18-31-25-6-4-22(16-26(25)32-18)35-28(29)24(17-30-35)27(36)21-13-19-3-5-23(15-20(19)14-21)37-12-11-34-9-7-33(2)8-10-34/h3-6,13,15-17H,7-12,14,29H2,1-2H3,(H,31,32)
InChIKeyOGQXEMFCNUYWNL-UHFFFAOYSA-N
XLogP3.09
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-butoxy-1H-inden-2-yl)methanone
CID 160624986
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5H-cyclopenta[f][1,3]benzodioxol-6-yl)methanone
CID 158491317
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone
CID 158528853
[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone
CID 159296700
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone
CID 158875544
[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone
CID 159399332
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone
CID 50939226
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(oxan-4-yloxy)-1H-indol-2-yl]methanone
CID 50938732
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone
CID 66556590
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone
CID 50939487
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[4,5-bis(3-methoxyphenyl)-1H-pyrrol-2-yl]methanone
CID 50939095
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone
CID 50938963

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone (CID 159988683) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone is Cc1nc2ccc(-n3ncc(C(=O)C4=Cc5ccc(OCCN6CCN(C)CC6)cc5C4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone?
The InChIKey is OGQXEMFCNUYWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2/c1-18-31-25-6-4-22(16-26(25)32-18)35-28(29)24(17-30-35)27(36)21-13-19-3-5-23(15-20(19)14-21)37-12-11-34-9-7-33(2)8-10-34/h3-6,13,15-17H,7-12,14,29H2,1-2H3,(H,31,32).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone has a molecular weight of 497.60 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone is sourced from PubChem (CID 159988683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).