4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide

C23H17F2N5O2 — CID 155134820

IUPAC4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide
SMILESCOc1cccc(-c2n[nH]c3ccc(NC(=O)c4c(F)cc5c(cnn5C)c4F)cc23)c1
InChIInChI=1S/C23H17F2N5O2/c1-30-19-10-17(24)20(21(25)16(19)11-26-30)23(31)27-13-6-7-18-15(9-13)22(29-28-18)12-4-3-5-14(8-12)32-2/h3-11H,1-2H3,(H,27,31)(H,28,29)
InChIKeyZNELIKTTXKHDFH-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.66
Rot. Bonds4

About 4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide

4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide (PubChem CID 155134820) has the molecular formula C23H17F2N5O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide
PubChem CID155134820
Molecular FormulaC23H17F2N5O2
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Name4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide
SMILESCOc1cccc(-c2n[nH]c3ccc(NC(=O)c4c(F)cc5c(cnn5C)c4F)cc23)c1
InChIInChI=1S/C23H17F2N5O2/c1-30-19-10-17(24)20(21(25)16(19)11-26-30)23(31)27-13-6-7-18-15(9-13)22(29-28-18)12-4-3-5-14(8-12)32-2/h3-11H,1-2H3,(H,27,31)(H,28,29)
InChIKeyZNELIKTTXKHDFH-UHFFFAOYSA-N
XLogP4.66
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide
CID 159626367
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-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
CID 165029629
N-(3-fluorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802909
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methoxybenzamide
CID 22479909
4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164949063
4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
CID 22479778
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

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide?
The IUPAC name of 4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide (CID 155134820) is 4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide.
What is the SMILES notation for 4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide?
The canonical SMILES for 4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide is COc1cccc(-c2n[nH]c3ccc(NC(=O)c4c(F)cc5c(cnn5C)c4F)cc23)c1.
What is the InChIKey of 4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide?
The InChIKey is ZNELIKTTXKHDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O2/c1-30-19-10-17(24)20(21(25)16(19)11-26-30)23(31)27-13-6-7-18-15(9-13)22(29-28-18)12-4-3-5-14(8-12)32-2/h3-11H,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide?
4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 4.66, 4 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-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide is sourced from PubChem (CID 155134820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).