3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide

C25H19ClFN5O2 — CID 134522052

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide
SMILESCc1nc(C(C)NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)no1
InChIInChI=1S/C25H19ClFN5O2/c1-14(24-29-15(2)34-31-24)28-25(33)16-7-12-20-22(13-16)32(18-10-8-17(27)9-11-18)30-23(20)19-5-3-4-6-21(19)26/h3-14H,1-2H3,(H,28,33)
InChIKeyMKOGKQAMAFFLPW-UHFFFAOYSA-N
MW475.91 g/mol
LogP5.67
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide (PubChem CID 134522052) has the molecular formula C25H19ClFN5O2 and a molecular weight of 475.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide
PubChem CID134522052
Molecular FormulaC25H19ClFN5O2
Molecular Weight475.91 g/mol
Exact Mass475.12
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide
SMILESCc1nc(C(C)NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)no1
InChIInChI=1S/C25H19ClFN5O2/c1-14(24-29-15(2)34-31-24)28-25(33)16-7-12-20-22(13-16)32(18-10-8-17(27)9-11-18)30-23(20)19-5-3-4-6-21(19)26/h3-14H,1-2H3,(H,28,33)
InChIKeyMKOGKQAMAFFLPW-UHFFFAOYSA-N
XLogP5.67
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.91
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide with MolForge

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Related Compounds

4-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]benzene-1,4-dicarboxamide
CID 11547838
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)-2-fluorobenzamide
CID 11569660
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-methylbenzamide
CID 66674328
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-2-fluoro-4-methylbenzamide
CID 118727596
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-5-chloro-2-fluorobenzamide
CID 118727599
US11104690, Example 14
CID 134522104
US11104690, Example 52
CID 134522134
US11104690, Example 39
CID 134522474
US11104690, Example 22
CID 134522553
US11104690, Example 34
CID 134522572
US11104690, Example 49
CID 134522587
US11104690, Example 50
CID 134522589

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide (CID 134522052) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide is Cc1nc(C(C)NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)no1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide?
The InChIKey is MKOGKQAMAFFLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O2/c1-14(24-29-15(2)34-31-24)28-25(33)16-7-12-20-22(13-16)32(18-10-8-17(27)9-11-18)30-23(20)19-5-3-4-6-21(19)26/h3-14H,1-2H3,(H,28,33).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide has a molecular weight of 475.91 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 134522052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).