[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone

C26H20N8O — CID 50938963

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc(-c5cccnc5)c(-c5cccnc5)[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C26H20N8O/c1-15-31-21-7-6-18(10-22(21)32-15)34-26(27)20(14-30-34)25(35)23-11-19(16-4-2-8-28-12-16)24(33-23)17-5-3-9-29-13-17/h2-14,33H,27H2,1H3,(H,31,32)
InChIKeySFLNGTDFCHOKBR-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.32
Rot. Bonds5

About [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone (PubChem CID 50938963) has the molecular formula C26H20N8O and a molecular weight of 460.50 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone
PubChem CID50938963
Molecular FormulaC26H20N8O
Molecular Weight460.50 g/mol
Exact Mass460.18
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc(-c5cccnc5)c(-c5cccnc5)[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C26H20N8O/c1-15-31-21-7-6-18(10-22(21)32-15)34-26(27)20(14-30-34)25(35)23-11-19(16-4-2-8-28-12-16)24(33-23)17-5-3-9-29-13-17/h2-14,33H,27H2,1H3,(H,31,32)
InChIKeySFLNGTDFCHOKBR-UHFFFAOYSA-N
XLogP4.32
TPSA131.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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[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-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone
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CID 88977898
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[5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5H-cyclopenta[f][1,3]benzodioxol-6-yl)methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone
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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]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone (CID 50938963) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc(-c5cccnc5)c(-c5cccnc5)[nH]4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone?
The InChIKey is SFLNGTDFCHOKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O/c1-15-31-21-7-6-18(10-22(21)32-15)34-26(27)20(14-30-34)25(35)23-11-19(16-4-2-8-28-12-16)24(33-23)17-5-3-9-29-13-17/h2-14,33H,27H2,1H3,(H,31,32).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone has a molecular weight of 460.50 g/mol, XLogP of 4.32, 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]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 50938963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).