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

C22H20F2N6O2Si — CID 159626367

IUPAC4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(-c5cc([Si](C)(C)C)on5)c4c3)c(F)cc21
InChIInChI=1S/C22H20F2N6O2Si/c1-30-17-8-14(23)19(20(24)13(17)10-25-30)22(31)26-11-5-6-15-12(7-11)21(28-27-15)16-9-18(32-29-16)33(2,3)4/h5-10H,1-4H3,(H,26,31)(H,27,28)
InChIKeyMONTXFDDPVCZDR-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.18
Rot. Bonds4

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

4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide (PubChem CID 159626367) has the molecular formula C22H20F2N6O2Si and a molecular weight of 466.52 g/mol. Its IUPAC name is 4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide
PubChem CID159626367
Molecular FormulaC22H20F2N6O2Si
Molecular Weight466.52 g/mol
Exact Mass466.14
IUPAC Name4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(-c5cc([Si](C)(C)C)on5)c4c3)c(F)cc21
InChIInChI=1S/C22H20F2N6O2Si/c1-30-17-8-14(23)19(20(24)13(17)10-25-30)22(31)26-11-5-6-15-12(7-11)21(28-27-15)16-9-18(32-29-16)33(2,3)4/h5-10H,1-4H3,(H,26,31)(H,27,28)
InChIKeyMONTXFDDPVCZDR-UHFFFAOYSA-N
XLogP4.18
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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
N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 155134203
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
4,6-difluoro-1-methyl-N-[3-(1,2-oxazol-5-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 164975000
1,4-dimethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyrazolo[3,4-c]pyridine-5-carboxamide
CID 155129008
4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 165109745
4,6-difluoro-N-[3-(2-fluorophenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164950841
4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
CID 165029629
4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164949063
1,6-dimethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyrazolo[4,5-b]pyridine-5-carboxamide
CID 155128913

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide?
The IUPAC name of 4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide (CID 159626367) is 4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide.
What is the SMILES notation for 4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide?
The canonical SMILES for 4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide is Cn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(-c5cc([Si](C)(C)C)on5)c4c3)c(F)cc21.
What is the InChIKey of 4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide?
The InChIKey is MONTXFDDPVCZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O2Si/c1-30-17-8-14(23)19(20(24)13(17)10-25-30)22(31)26-11-5-6-15-12(7-11)21(28-27-15)16-9-18(32-29-16)33(2,3)4/h5-10H,1-4H3,(H,26,31)(H,27,28).
What are the key properties of 4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide?
4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide is sourced from PubChem (CID 159626367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).