[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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Related Compounds

[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-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-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-phenyl-1H-indol-2-yl)methanone
CID 68005486
[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
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340646
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[4,3-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340714
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340834
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone
CID 50939892
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 118538902
4-[5-[3-Ethyl-5-(5-methyl-2-furyl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridyl)methyl]benzimidazol-2-yl]benzamide
CID 71457554
4-[5-[3-Ethyl-5-(5-methyl-2-furyl)pyrazol-1-yl]-1-(3-pyridylmethyl)benzimidazol-2-yl]benzamide
CID 71459439
4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395632

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).