N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H19F3N6O3S — CID 167268196

IUPACN-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILES[H]N=S(=O)(CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OC)cc2n1)c1ccccn1
InChIInChI=1S/C22H19F3N6O3S/c1-34-18-12-16-14(13-31(30-16)9-10-35(26,33)20-7-2-3-8-27-20)11-17(18)29-21(32)15-5-4-6-19(28-15)22(23,24)25/h2-8,11-13,26H,9-10H2,1H3,(H,29,32)
InChIKeyKHAJXGRVLQBCKP-UHFFFAOYSA-N
MW504.49 g/mol
LogP4.21
Rot. Bonds7

About N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167268196) has the molecular formula C22H19F3N6O3S and a molecular weight of 504.49 g/mol. Its IUPAC name is N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID167268196
Molecular FormulaC22H19F3N6O3S
Molecular Weight504.49 g/mol
Exact Mass504.12
IUPAC NameN-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILES[H]N=S(=O)(CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OC)cc2n1)c1ccccn1
InChIInChI=1S/C22H19F3N6O3S/c1-34-18-12-16-14(13-31(30-16)9-10-35(26,33)20-7-2-3-8-27-20)11-17(18)29-21(32)15-5-4-6-19(28-15)22(23,24)25/h2-8,11-13,26H,9-10H2,1H3,(H,29,32)
InChIKeyKHAJXGRVLQBCKP-UHFFFAOYSA-N
XLogP4.21
TPSA122.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

US9951086, Example 68
CID 118173098
US9951086, Example 220
CID 118172527
US9951086, Example 46
CID 118172648
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833
US9951086, Example 12
CID 118172938
US9951086, Example 65
CID 118173075
US9951086, Example 64
CID 118173110
US9951086, Example 255
CID 118173137
US9951086, Example 71
CID 122637001
US9951086, Example 257
CID 122637024
N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 147861233

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 167268196) is N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is [H]N=S(=O)(CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OC)cc2n1)c1ccccn1.
What is the InChIKey of N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is KHAJXGRVLQBCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3S/c1-34-18-12-16-14(13-31(30-16)9-10-35(26,33)20-7-2-3-8-27-20)11-17(18)29-21(32)15-5-4-6-19(28-15)22(23,24)25/h2-8,11-13,26H,9-10H2,1H3,(H,29,32).
What are the key properties of N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 504.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167268196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).