N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide

C20H15F2N3OS — CID 56848088

IUPACN-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide
SMILESCc1cc2cn(C)nc2cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C20H15F2N3OS/c1-11-8-12-10-25(2)24-16(12)9-13(11)17-6-7-18(27-17)20(26)23-19-14(21)4-3-5-15(19)22/h3-10H,1-2H3,(H,23,26)
InChIKeyBPNYLSZRIKTIGX-UHFFFAOYSA-N
MW383.42 g/mol
LogP5.14
Rot. Bonds3

About N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide

N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide (PubChem CID 56848088) has the molecular formula C20H15F2N3OS and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide
PubChem CID56848088
Molecular FormulaC20H15F2N3OS
Molecular Weight383.42 g/mol
Exact Mass383.09
IUPAC NameN-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide
SMILESCc1cc2cn(C)nc2cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C20H15F2N3OS/c1-11-8-12-10-25(2)24-16(12)9-13(11)17-6-7-18(27-17)20(26)23-19-14(21)4-3-5-15(19)22/h3-10H,1-2H3,(H,23,26)
InChIKeyBPNYLSZRIKTIGX-UHFFFAOYSA-N
XLogP5.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.42
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide (CID 56848088) is N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide is Cc1cc2cn(C)nc2cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide?
The InChIKey is BPNYLSZRIKTIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3OS/c1-11-8-12-10-25(2)24-16(12)9-13(11)17-6-7-18(27-17)20(26)23-19-14(21)4-3-5-15(19)22/h3-10H,1-2H3,(H,23,26).
What are the key properties of N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide?
N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 56848088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).