4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide

C23H16F2N4O2 — CID 164949063

IUPAC4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4c(c3)C(c3ccccc3O)=NC4)c(F)cc21
InChIInChI=1S/C23H16F2N4O2/c1-29-18-9-17(24)20(21(25)16(18)11-27-29)23(31)28-13-7-6-12-10-26-22(15(12)8-13)14-4-2-3-5-19(14)30/h2-9,11,30H,10H2,1H3,(H,28,31)
InChIKeyAGUWPWHNDSCCPW-UHFFFAOYSA-N
MW418.40 g/mol
LogP4.16
Rot. Bonds3

About 4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide

4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide (PubChem CID 164949063) has the molecular formula C23H16F2N4O2 and a molecular weight of 418.40 g/mol. Its IUPAC name is 4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
PubChem CID164949063
Molecular FormulaC23H16F2N4O2
Molecular Weight418.40 g/mol
Exact Mass418.12
IUPAC Name4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4c(c3)C(c3ccccc3O)=NC4)c(F)cc21
InChIInChI=1S/C23H16F2N4O2/c1-29-18-9-17(24)20(21(25)16(18)11-27-29)23(31)28-13-7-6-12-10-26-22(15(12)8-13)14-4-2-3-5-19(14)30/h2-9,11,30H,10H2,1H3,(H,28,31)
InChIKeyAGUWPWHNDSCCPW-UHFFFAOYSA-N
XLogP4.16
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-difluoro-N-[3-(2-fluorophenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164950841
4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 165109745
N-[3-(1,3-dimethylpyrazol-4-yl)-1H-isoindol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 165084481
4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
CID 165029629
4,6-difluoro-1-methyl-N-[3-(1,2-oxazol-5-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 164975000
N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide
CID 164984999
4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide
CID 155128869
N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 155134830
4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide
CID 155134820
4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide
CID 155128970
3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167625204
4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide
CID 159626367

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide?
The IUPAC name of 4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide (CID 164949063) is 4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide.
What is the SMILES notation for 4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide?
The canonical SMILES for 4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide is Cn1ncc2c(F)c(C(=O)Nc3ccc4c(c3)C(c3ccccc3O)=NC4)c(F)cc21.
What is the InChIKey of 4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide?
The InChIKey is AGUWPWHNDSCCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O2/c1-29-18-9-17(24)20(21(25)16(18)11-27-29)23(31)28-13-7-6-12-10-26-22(15(12)8-13)14-4-2-3-5-19(14)30/h2-9,11,30H,10H2,1H3,(H,28,31).
What are the key properties of 4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide?
4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide is sourced from PubChem (CID 164949063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).