1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one

C23H24FN3O — CID 155284984

IUPAC1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)c1cc2cc3c(cnn3C(=O)C(C)(C)C)cc2n1-c1ccccc1F
InChIInChI=1S/C23H24FN3O/c1-14(2)19-10-15-11-21-16(13-25-27(21)22(28)23(3,4)5)12-20(15)26(19)18-9-7-6-8-17(18)24/h6-14H,1-5H3
InChIKeyOCPFDRIVKLGZFK-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.93
Rot. Bonds2

About 1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one

1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 155284984) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one
PubChem CID155284984
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)c1cc2cc3c(cnn3C(=O)C(C)(C)C)cc2n1-c1ccccc1F
InChIInChI=1S/C23H24FN3O/c1-14(2)19-10-15-11-21-16(13-25-27(21)22(28)23(3,4)5)12-20(15)26(19)18-9-7-6-8-17(18)24/h6-14H,1-5H3
InChIKeyOCPFDRIVKLGZFK-UHFFFAOYSA-N
XLogP5.93
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
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4-(1-methyl-1H-indol-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205152
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-para-tolylpyridin-2(1H)-one
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1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethyl)phenyl)pyridin-2(1H)-one
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4-(1-methyl-1H-indol-5-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
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4-(2-fluoro-4-(trifluoromethyl)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206616
(1-Ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone
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1-Carbazol-9-yl-2-(3,5-dimethyl-pyrazol-1-yl)-ethanone
CID 3119235
N-(9-Ethyl-9H-carbazol-3-yl)-3-(4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl)propanamide
CID 25034074
US11787780, Example 99
CID 166916432
US11787780, Example 191
CID 166917305
US11787780, Example 190
CID 166917310

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one (CID 155284984) is 1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one is CC(C)c1cc2cc3c(cnn3C(=O)C(C)(C)C)cc2n1-c1ccccc1F.
What is the InChIKey of 1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is OCPFDRIVKLGZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-14(2)19-10-15-11-21-16(13-25-27(21)22(28)23(3,4)5)12-20(15)26(19)18-9-7-6-8-17(18)24/h6-14H,1-5H3.
What are the key properties of 1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one?
1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 377.46 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 155284984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).