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

C23H18FN5O — CID 159296700

IUPAC[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone
SMILESNc1c(C(=O)C2=Cc3ccc(F)cc3C2)cnn1-c1ccc2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C23H18FN5O/c24-16-4-3-13-7-15(8-14(13)9-16)21(30)18-11-26-29(22(18)25)17-5-6-19-20(10-17)28-23(27-19)12-1-2-12/h3-7,9-12H,1-2,8,25H2,(H,27,28)
InChIKeyMGPCKNMUDNFNOR-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.17
Rot. Bonds4

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

[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone (PubChem CID 159296700) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone
PubChem CID159296700
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone
SMILESNc1c(C(=O)C2=Cc3ccc(F)cc3C2)cnn1-c1ccc2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C23H18FN5O/c24-16-4-3-13-7-15(8-14(13)9-16)21(30)18-11-26-29(22(18)25)17-5-6-19-20(10-17)28-23(27-19)12-1-2-12/h3-7,9-12H,1-2,8,25H2,(H,27,28)
InChIKeyMGPCKNMUDNFNOR-UHFFFAOYSA-N
XLogP4.17
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-ethylpyrazol-4-yl)-1H-inden-2-yl]methanone
CID 159399332
[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[1-(benzenesulfonyl)-6-fluoroindol-2-yl]methanone
CID 126608467
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5H-cyclopenta[f][1,3]benzodioxol-6-yl)methanone
CID 158491317
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-inden-2-yl]methanone
CID 159988683
[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone;(E)-2-[1-(benzenesulfonyl)-6-fluoroindole-2-carbonyl]-3-(dimethylamino)prop-2-enenitrile;3-[1-(benzenesulfonyl)-6-fluoroindol-2-yl]-3-oxopropanenitrile;(2-cyclopropyl-3H-benzimidazol-5-yl)methanamine;ethyl 1-(benzenesulfonyl)-6-fluoroindole-2-carboxylate;ethyl 6-fluoro-1H-indene-2-carboxylate;6-fluoro-1H-indene-2-carboxylic acid
CID 162240207
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-butoxy-1H-inden-2-yl)methanone
CID 160624986
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-(3,3-difluoropiperidine-1-carbonyl)-1H-inden-2-yl]methanone
CID 147267246
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone
CID 158875544
[5-amino-1-[4-(3-fluorophenoxy)phenyl]pyrazol-4-yl]-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-1H-inden-2-yl]methanone
CID 161151834
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone
CID 66556590
[5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone
CID 146918558
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone
CID 50939226

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone (CID 159296700) is [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone is Nc1c(C(=O)C2=Cc3ccc(F)cc3C2)cnn1-c1ccc2nc(C3CC3)[nH]c2c1.
What is the InChIKey of [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone?
The InChIKey is MGPCKNMUDNFNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-16-4-3-13-7-15(8-14(13)9-16)21(30)18-11-26-29(22(18)25)17-5-6-19-20(10-17)28-23(27-19)12-1-2-12/h3-7,9-12H,1-2,8,25H2,(H,27,28).
What are the key properties of [5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone?
[5-amino-1-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-fluoro-1H-inden-2-yl)methanone has a molecular weight of 399.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-fluoro-1H-inden-2-yl)methanone is sourced from PubChem (CID 159296700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).