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

C20H15BrN6O — CID 66556938

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(Br)cc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C20H15BrN6O/c1-10-24-15-5-4-13(8-17(15)25-10)27-20(22)14(9-23-27)19(28)18-6-11-2-3-12(21)7-16(11)26-18/h2-9,26H,22H2,1H3,(H,24,25)
InChIKeyAMMKZXLXQZTHBG-UHFFFAOYSA-N
MW435.29 g/mol
LogP4.11
Rot. Bonds3

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

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone (PubChem CID 66556938) has the molecular formula C20H15BrN6O and a molecular weight of 435.29 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone
PubChem CID66556938
Molecular FormulaC20H15BrN6O
Molecular Weight435.29 g/mol
Exact Mass434.05
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(Br)cc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C20H15BrN6O/c1-10-24-15-5-4-13(8-17(15)25-10)27-20(22)14(9-23-27)19(28)18-6-11-2-3-12(21)7-16(11)26-18/h2-9,26H,22H2,1H3,(H,24,25)
InChIKeyAMMKZXLXQZTHBG-UHFFFAOYSA-N
XLogP4.11
TPSA105.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-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

Zoligratinib
CID 66555680
Bromodeoxytopsentin
CID 400452
Dibromodeoxytopsentin
CID 11363725
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 50939489
[5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
CID 66555232
[5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(6-morpholin-4-ylmethyl-1H-indol-2-yl)-methanone
CID 68004741
[5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(5-morpholin-4-ylmethyl-1H-indol-2-yl)-methanone
CID 68005465
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-phenyl-1H-indol-2-yl)methanone
CID 68005486
[5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(6-methanesulfonyl-1H-indol-2-yl)-methanone
CID 68005600
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(4,4-difluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone
CID 68005621
[5-amino-1-(1H-benzimidazol-6-yl)-1H-pyrazol-4-yl]-1H-indol-2-ylMethanone
CID 68005732
[5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
CID 134155961

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone (CID 66556938) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(Br)cc5[nH]4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone?
The InChIKey is AMMKZXLXQZTHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN6O/c1-10-24-15-5-4-13(8-17(15)25-10)27-20(22)14(9-23-27)19(28)18-6-11-2-3-12(21)7-16(11)26-18/h2-9,26H,22H2,1H3,(H,24,25).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone has a molecular weight of 435.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 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-bromo-1H-indol-2-yl)methanone is sourced from PubChem (CID 66556938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).