[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone

C28H25N7O — CID 159399332

IUPAC[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone
SMILESCCn1cc(-c2ccc3c(c2)CC(C(=O)c2cnn(-c4ccc5nc(C6CC6)[nH]c5c4)c2N)=C3)cn1
InChIInChI=1S/C28H25N7O/c1-2-34-15-21(13-30-34)18-6-5-17-10-20(11-19(17)9-18)26(36)23-14-31-35(27(23)29)22-7-8-24-25(12-22)33-28(32-24)16-3-4-16/h5-10,12-16H,2-4,11,29H2,1H3,(H,32,33)
InChIKeyLNFGQWKOIGWJNQ-UHFFFAOYSA-N
MW475.56 g/mol
LogP4.91
Rot. Bonds6

About [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone

[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone (PubChem CID 159399332) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone
PubChem CID159399332
Molecular FormulaC28H25N7O
Molecular Weight475.56 g/mol
Exact Mass475.21
IUPAC Name[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone
SMILESCCn1cc(-c2ccc3c(c2)CC(C(=O)c2cnn(-c4ccc5nc(C6CC6)[nH]c5c4)c2N)=C3)cn1
InChIInChI=1S/C28H25N7O/c1-2-34-15-21(13-30-34)18-6-5-17-10-20(11-19(17)9-18)26(36)23-14-31-35(27(23)29)22-7-8-24-25(12-22)33-28(32-24)16-3-4-16/h5-10,12-16H,2-4,11,29H2,1H3,(H,32,33)
InChIKeyLNFGQWKOIGWJNQ-UHFFFAOYSA-N
XLogP4.91
TPSA107.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone with MolForge

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Related Compounds

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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-methyl-1H-indol-2-yl)methanone
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[5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
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[5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(6-morpholin-4-ylmethyl-1H-indol-2-yl)-methanone
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[5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(5-morpholin-4-ylmethyl-1H-indol-2-yl)-methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-phenyl-1H-indol-2-yl)methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(4,4-difluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone
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[5-amino-1-(1H-benzimidazol-6-yl)-1H-pyrazol-4-yl]-1H-indol-2-ylMethanone
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2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383816
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone
CID 66554717
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1H-indol-2-yl]methanone
CID 68005943

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone?
The IUPAC name of [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone (CID 159399332) is [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone.
What is the SMILES notation for [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone?
The canonical SMILES for [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone is CCn1cc(-c2ccc3c(c2)CC(C(=O)c2cnn(-c4ccc5nc(C6CC6)[nH]c5c4)c2N)=C3)cn1.
What is the InChIKey of [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone?
The InChIKey is LNFGQWKOIGWJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O/c1-2-34-15-21(13-30-34)18-6-5-17-10-20(11-19(17)9-18)26(36)23-14-31-35(27(23)29)22-7-8-24-25(12-22)33-28(32-24)16-3-4-16/h5-10,12-16H,2-4,11,29H2,1H3,(H,32,33).
What are the key properties of [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone?
[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone has a molecular weight of 475.56 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone is sourced from PubChem (CID 159399332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).