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

C20H15BrN6O — CID 50939487

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5c(Br)cccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C20H15BrN6O/c1-10-24-16-6-5-11(7-17(16)25-10)27-20(22)13(9-23-27)19(28)18-8-12-14(21)3-2-4-15(12)26-18/h2-9,26H,22H2,1H3,(H,24,25)
InChIKeyZEVZDHMAEOMCHU-UHFFFAOYSA-N
MW435.29 g/mol
LogP4.11
Rot. Bonds3

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

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone (PubChem CID 50939487) 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]-(4-bromo-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone
PubChem CID50939487
Molecular FormulaC20H15BrN6O
Molecular Weight435.29 g/mol
Exact Mass434.05
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5c(Br)cccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C20H15BrN6O/c1-10-24-16-6-5-11(7-17(16)25-10)27-20(22)13(9-23-27)19(28)18-8-12-14(21)3-2-4-15(12)26-18/h2-9,26H,22H2,1H3,(H,24,25)
InChIKeyZEVZDHMAEOMCHU-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

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Related Compounds

CID 88977898
CID 88977898
[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]-(5-pyridin-3-yl-1H-indol-2-yl)methanone
CID 66554718
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone
CID 50938963
[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-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
CID 66555065
[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-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone
CID 153489242
[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone
CID 118141491
[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-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone
CID 158875544

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone (CID 50939487) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc5c(Br)cccc5[nH]4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone?
The InChIKey is ZEVZDHMAEOMCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN6O/c1-10-24-16-6-5-11(7-17(16)25-10)27-20(22)13(9-23-27)19(28)18-8-12-14(21)3-2-4-15(12)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]-(4-bromo-1H-indol-2-yl)methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-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]-(4-bromo-1H-indol-2-yl)methanone is sourced from PubChem (CID 50939487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).