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

C26H21N7O2 — CID 50940360

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone
SMILESCOc1ncccc1-c1ccc2cc(C(=O)c3cnn(-c4ccc5nc(C)[nH]c5c4)c3N)[nH]c2c1
InChIInChI=1S/C26H21N7O2/c1-14-30-20-8-7-17(12-22(20)31-14)33-25(27)19(13-29-33)24(34)23-11-16-6-5-15(10-21(16)32-23)18-4-3-9-28-26(18)35-2/h3-13,32H,27H2,1-2H3,(H,30,31)
InChIKeyYMWNLONTKXQMAJ-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.42
Rot. Bonds5

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

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone (PubChem CID 50940360) has the molecular formula C26H21N7O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone
PubChem CID50940360
Molecular FormulaC26H21N7O2
Molecular Weight463.50 g/mol
Exact Mass463.18
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone
SMILESCOc1ncccc1-c1ccc2cc(C(=O)c3cnn(-c4ccc5nc(C)[nH]c5c4)c3N)[nH]c2c1
InChIInChI=1S/C26H21N7O2/c1-14-30-20-8-7-17(12-22(20)31-14)33-25(27)19(13-29-33)24(34)23-11-16-6-5-15(10-21(16)32-23)18-4-3-9-28-26(18)35-2/h3-13,32H,27H2,1-2H3,(H,30,31)
InChIKeyYMWNLONTKXQMAJ-UHFFFAOYSA-N
XLogP4.42
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.42
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-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone (CID 50940360) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone is COc1ncccc1-c1ccc2cc(C(=O)c3cnn(-c4ccc5nc(C)[nH]c5c4)c3N)[nH]c2c1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone?
The InChIKey is YMWNLONTKXQMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O2/c1-14-30-20-8-7-17(12-22(20)31-14)33-25(27)19(13-29-33)24(34)23-11-16-6-5-15(10-21(16)32-23)18-4-3-9-28-26(18)35-2/h3-13,32H,27H2,1-2H3,(H,30,31).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone has a molecular weight of 463.50 g/mol, XLogP of 4.42, 5 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-(2-methoxy-3-pyridinyl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 50940360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).