N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide

C20H12ClF3N4O — CID 58278684

IUPACN-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)c1cccc2c1N=C(c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C20H12ClF3N4O/c21-16-7-8-17(28-27-16)26-19(29)14-6-2-4-12-10-15(25-18(12)14)11-3-1-5-13(9-11)20(22,23)24/h1-9H,10H2,(H,26,28,29)
InChIKeyFTPJRKIGIWMTGA-UHFFFAOYSA-N
MW416.79 g/mol
LogP5.08
Rot. Bonds3

About N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide

N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide (PubChem CID 58278684) has the molecular formula C20H12ClF3N4O and a molecular weight of 416.79 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
PubChem CID58278684
Molecular FormulaC20H12ClF3N4O
Molecular Weight416.79 g/mol
Exact Mass416.07
IUPAC NameN-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)c1cccc2c1N=C(c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C20H12ClF3N4O/c21-16-7-8-17(28-27-16)26-19(29)14-6-2-4-12-10-15(25-18(12)14)11-3-1-5-13(9-11)20(22,23)24/h1-9H,10H2,(H,26,28,29)
InChIKeyFTPJRKIGIWMTGA-UHFFFAOYSA-N
XLogP5.08
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.79
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58278852
2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
CID 115744112
N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58279245
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide
CID 58278699
5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030422
N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide
CID 113241160
4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
CID 115686692
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 91649769
2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278966
5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
CID 113235172
2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 13035548
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide (CID 58278684) is N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide is O=C(Nc1ccc(Cl)nn1)c1cccc2c1N=C(c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
The InChIKey is FTPJRKIGIWMTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4O/c21-16-7-8-17(28-27-16)26-19(29)14-6-2-4-12-10-15(25-18(12)14)11-3-1-5-13(9-11)20(22,23)24/h1-9H,10H2,(H,26,28,29).
What are the key properties of N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide?
N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide has a molecular weight of 416.79 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide is sourced from PubChem (CID 58278684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).