5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole

C20H17F2N3O — CID 146522737

IUPAC5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
SMILESFc1ccc(-n2c(C3CCOCC3)cc3cc4[nH]ncc4cc32)cc1F
InChIInChI=1S/C20H17F2N3O/c21-16-2-1-15(10-17(16)22)25-19(12-3-5-26-6-4-12)8-13-7-18-14(9-20(13)25)11-23-24-18/h1-2,7-12H,3-6H2,(H,23,24)
InChIKeyNOAZHCHDPFMQPD-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.68
Rot. Bonds2

About 5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole

5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole (PubChem CID 146522737) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
PubChem CID146522737
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
SMILESFc1ccc(-n2c(C3CCOCC3)cc3cc4[nH]ncc4cc32)cc1F
InChIInChI=1S/C20H17F2N3O/c21-16-2-1-15(10-17(16)22)25-19(12-3-5-26-6-4-12)8-13-7-18-14(9-20(13)25)11-23-24-18/h1-2,7-12H,3-6H2,(H,23,24)
InChIKeyNOAZHCHDPFMQPD-UHFFFAOYSA-N
XLogP4.68
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
CID 155369365
5-(3,4-difluorophenyl)-6-(oxan-4-yl)-7-piperidin-4-yl-1H-pyrrolo[2,3-f]indazole
CID 146521993
4-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-fluorobenzoic acid
CID 155318119
8-cyclopentyloxy-5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrazolo[4,3-g]isoquinoline
CID 156879622
1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole
CID 159548765
5-(4-fluoro-3-methylphenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole
CID 146522056
bis(6-[5-(3-chloro-4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]spiro[3.3]heptane-2-carboxylic acid);4-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]cyclohexane-1-carboxylic acid
CID 162198492
4-[5-(4-fluoro-3-methylphenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]cyclohexane-1-carboxylic acid
CID 146521986
(2S)-3-[10-(3,4-difluorophenyl)-11-(oxan-4-yl)-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaen-12-yl]-2-fluoropropanoic acid
CID 168754596
4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one
CID 155318059
5-(3,4-difluorophenyl)-8-ethoxy-6-(oxan-4-yl)-1H-pyrazolo[4,3-g]isoquinoline
CID 156879599
(2R)-2-fluoro-3-[5-(4-fluoro-3-methylphenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 168754446

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
The IUPAC name of 5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole (CID 146522737) is 5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole.
What is the SMILES notation for 5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
The canonical SMILES for 5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole is Fc1ccc(-n2c(C3CCOCC3)cc3cc4[nH]ncc4cc32)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
The InChIKey is NOAZHCHDPFMQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c21-16-2-1-15(10-17(16)22)25-19(12-3-5-26-6-4-12)8-13-7-18-14(9-20(13)25)11-23-24-18/h1-2,7-12H,3-6H2,(H,23,24).
What are the key properties of 5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole has a molecular weight of 353.37 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole is sourced from PubChem (CID 146522737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).