6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid

C39H27F6N11O3 — CID 158301776

IUPAC6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid
SMILESCNC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.Nc1cncc(-c2cc(C(=O)O)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C20H15F3N6O.C19H12F3N5O2/c1-25-19(30)14-6-11(12-5-13(24)9-26-8-12)7-16-15(14)10-27-29(16)18-4-2-3-17(28-18)20(21,22)23;20-19(21,22)16-2-1-3-17(26-16)27-15-6-10(11-4-12(23)8-24-7-11)5-13(18(28)29)14(15)9-25-27/h2-10H,24H2,1H3,(H,25,30);1-9H,23H2,(H,28,29)
InChIKeyGMOTXSOQDCMEIR-UHFFFAOYSA-N
MW811.71 g/mol
LogP7.22
Rot. Bonds6

About 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid

6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid (PubChem CID 158301776) has the molecular formula C39H27F6N11O3 and a molecular weight of 811.71 g/mol. Its IUPAC name is 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid.

Molecular Properties

Compound Name6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid
PubChem CID158301776
Molecular FormulaC39H27F6N11O3
Molecular Weight811.71 g/mol
Exact Mass811.22
IUPAC Name6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid
SMILESCNC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.Nc1cncc(-c2cc(C(=O)O)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C20H15F3N6O.C19H12F3N5O2/c1-25-19(30)14-6-11(12-5-13(24)9-26-8-12)7-16-15(14)10-27-29(16)18-4-2-3-17(28-18)20(21,22)23;20-19(21,22)16-2-1-3-17(26-16)27-15-6-10(11-4-12(23)8-24-7-11)5-13(18(28)29)14(15)9-25-27/h2-10H,24H2,1H3,(H,25,30);1-9H,23H2,(H,28,29)
InChIKeyGMOTXSOQDCMEIR-UHFFFAOYSA-N
XLogP7.22
TPSA205.64 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.71
LogP ≤ 57.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid with MolForge

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Related Compounds

N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163399873
US8785489, 4-[({[1-methyl-5-(2-pyrimidin-4-yl-1H-indol-5-yl)-1H-pyrazol-3-yl]carbonyl}amino)methyl]benzoic acid
CID 86766582
2-Methyl-4-[6-[6-(propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]benzoic acid
CID 145967603
3-Fluoro-4-[6-[6-(propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]benzoic acid
CID 145968637
2-Fluoro-4-[6-[6-(propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]benzoic acid
CID 145971039
US8785489, 4-[({[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)-1H-pyrazol-3-yl]carbonyl}amino)methyl]benzoic acid
CID 45377005
US8785489, 4-[({[1-methyl-5-(2-pyrimidin-2-yl-1H-indol-5-yl)-1H-pyrazol-3-yl]carbonyl}amino)methyl]benzoic acid
CID 66989094
US9862707, Example 3
CID 118408743
US10246456, Example 61
CID 118664255
US10246456, Example 85
CID 118664311
US10246456, Example 50
CID 118664470
US10246456, Example 51
CID 118664679

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid?
The IUPAC name of 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid (CID 158301776) is 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid.
What is the SMILES notation for 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid?
The canonical SMILES for 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid is CNC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.Nc1cncc(-c2cc(C(=O)O)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.
What is the InChIKey of 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid?
The InChIKey is GMOTXSOQDCMEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O.C19H12F3N5O2/c1-25-19(30)14-6-11(12-5-13(24)9-26-8-12)7-16-15(14)10-27-29(16)18-4-2-3-17(28-18)20(21,22)23;20-19(21,22)16-2-1-3-17(26-16)27-15-6-10(11-4-12(23)8-24-7-11)5-13(18(28)29)14(15)9-25-27/h2-10H,24H2,1H3,(H,25,30);1-9H,23H2,(H,28,29).
What are the key properties of 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid?
6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid has a molecular weight of 811.71 g/mol, XLogP of 7.22, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-pyridinyl)-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid is sourced from PubChem (CID 158301776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).