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

C24H20N8O — CID 50940358

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(-c6cnn(C)c6)cc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C24H20N8O/c1-13-28-19-6-5-17(9-21(19)29-13)32-24(25)18(11-27-32)23(33)22-8-15-4-3-14(7-20(15)30-22)16-10-26-31(2)12-16/h3-12,30H,25H2,1-2H3,(H,28,29)
InChIKeyQSTFLZOOJVWRBM-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.75
Rot. Bonds4

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

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone (PubChem CID 50940358) has the molecular formula C24H20N8O and a molecular weight of 436.48 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone
PubChem CID50940358
Molecular FormulaC24H20N8O
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(-c6cnn(C)c6)cc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C24H20N8O/c1-13-28-19-6-5-17(9-21(19)29-13)32-24(25)18(11-27-32)23(33)22-8-15-4-3-14(7-20(15)30-22)16-10-26-31(2)12-16/h3-12,30H,25H2,1-2H3,(H,28,29)
InChIKeyQSTFLZOOJVWRBM-UHFFFAOYSA-N
XLogP3.75
TPSA123.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone (CID 50940358) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(-c6cnn(C)c6)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-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone?
The InChIKey is QSTFLZOOJVWRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O/c1-13-28-19-6-5-17(9-21(19)29-13)32-24(25)18(11-27-32)23(33)22-8-15-4-3-14(7-20(15)30-22)16-10-26-31(2)12-16/h3-12,30H,25H2,1-2H3,(H,28,29).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone has a molecular weight of 436.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 7 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-(1-methylpyrazol-4-yl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 50940358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).