4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide

C21H15F2N5O2 — CID 165109745

IUPAC4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
SMILESCc1nocc1C1=NCc2ccc(NC(=O)c3c(F)cc4c(cnn4C)c3F)cc21
InChIInChI=1S/C21H15F2N5O2/c1-10-15(9-30-27-10)20-13-5-12(4-3-11(13)7-24-20)26-21(29)18-16(22)6-17-14(19(18)23)8-25-28(17)2/h3-6,8-9H,7H2,1-2H3,(H,26,29)
InChIKeyZTDBFBQFCCXOTN-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.75
Rot. Bonds3

About 4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide

4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide (PubChem CID 165109745) has the molecular formula C21H15F2N5O2 and a molecular weight of 407.38 g/mol. Its IUPAC name is 4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
PubChem CID165109745
Molecular FormulaC21H15F2N5O2
Molecular Weight407.38 g/mol
Exact Mass407.12
IUPAC Name4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
SMILESCc1nocc1C1=NCc2ccc(NC(=O)c3c(F)cc4c(cnn4C)c3F)cc21
InChIInChI=1S/C21H15F2N5O2/c1-10-15(9-30-27-10)20-13-5-12(4-3-11(13)7-24-20)26-21(29)18-16(22)6-17-14(19(18)23)8-25-28(17)2/h3-6,8-9H,7H2,1-2H3,(H,26,29)
InChIKeyZTDBFBQFCCXOTN-UHFFFAOYSA-N
XLogP3.75
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-dimethylpyrazol-4-yl)-1H-isoindol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 165084481
4,6-difluoro-N-[3-(2-fluorophenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164950841
4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164949063
4,6-difluoro-1-methyl-N-[3-(1,2-oxazol-5-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 164975000
4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
CID 165029629
N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide
CID 164984999
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
N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 155134830
4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide
CID 155128869
N-[4-amino-3-(oxolane-3-carboximidoyl)phenyl]-4,6-difluoro-1-methylindazole-5-carboxamide;molecular hydrogen
CID 155698798
N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 155134203

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide?
The IUPAC name of 4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide (CID 165109745) is 4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide.
What is the SMILES notation for 4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide?
The canonical SMILES for 4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide is Cc1nocc1C1=NCc2ccc(NC(=O)c3c(F)cc4c(cnn4C)c3F)cc21.
What is the InChIKey of 4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide?
The InChIKey is ZTDBFBQFCCXOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O2/c1-10-15(9-30-27-10)20-13-5-12(4-3-11(13)7-24-20)26-21(29)18-16(22)6-17-14(19(18)23)8-25-28(17)2/h3-6,8-9H,7H2,1-2H3,(H,26,29).
What are the key properties of 4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide?
4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide has a molecular weight of 407.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide is sourced from PubChem (CID 165109745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).