6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide

C26H24F3N5O3 — CID 166041405

IUPAC6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cc(C(=O)NC(C)c4ccccc4OC(F)(F)F)c(C)nc3C)ccc12
InChIInChI=1S/C26H24F3N5O3/c1-13(17-7-5-6-8-22(17)37-26(27,28)29)32-24(35)20-12-19(14(2)31-15(20)3)16-9-10-18-21(11-16)33-34-23(18)25(36)30-4/h5-13H,1-4H3,(H,30,36)(H,32,35)(H,33,34)
InChIKeyRTAWZSNMRRRGCB-UHFFFAOYSA-N
MW511.50 g/mol
LogP4.99
Rot. Bonds6

About 6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide

6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 166041405) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID166041405
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC Name6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cc(C(=O)NC(C)c4ccccc4OC(F)(F)F)c(C)nc3C)ccc12
InChIInChI=1S/C26H24F3N5O3/c1-13(17-7-5-6-8-22(17)37-26(27,28)29)32-24(35)20-12-19(14(2)31-15(20)3)16-9-10-18-21(11-16)33-34-23(18)25(36)30-4/h5-13H,1-4H3,(H,30,36)(H,32,35)(H,33,34)
InChIKeyRTAWZSNMRRRGCB-UHFFFAOYSA-N
XLogP4.99
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-6-[6-(trideuteriomethoxy)-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041428
N-methyl-6-[6-(trideuteriomethoxy)-5-[[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 175664699
6-[6-(deuteriomethoxy)-5-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]-3-pyridinyl]-N-(deuteriomethyl)-1H-indazole-3-carboxamide
CID 166041359
2-methoxy-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 153406730
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 165437122
6-[6-(deuteriomethoxy)-5-[1-[5-fluoro-2-(trifluoromethyl)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-(deuteriomethyl)-1H-indazole-3-carboxamide
CID 166041434
tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate
CID 175813309
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17462645
N-[1-(2-methoxyphenyl)ethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 42922646
6-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930048
6-(4-fluorophenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25491415
N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397509

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide (CID 166041405) is 6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3cc(C(=O)NC(C)c4ccccc4OC(F)(F)F)c(C)nc3C)ccc12.
What is the InChIKey of 6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is RTAWZSNMRRRGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-13(17-7-5-6-8-22(17)37-26(27,28)29)32-24(35)20-12-19(14(2)31-15(20)3)16-9-10-18-21(11-16)33-34-23(18)25(36)30-4/h5-13H,1-4H3,(H,30,36)(H,32,35)(H,33,34).
What are the key properties of 6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 511.50 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 166041405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).