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

C40H29F6N11O3 — CID 160540693

IUPAC6-(5-amino-3-pyridinyl)-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid
SMILESCN(C)C(=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/C21H17F3N6O.C19H12F3N5O2/c1-29(2)20(31)15-7-12(13-6-14(25)10-26-9-13)8-17-16(15)11-27-30(17)19-5-3-4-18(28-19)21(22,23)24;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/h3-11H,25H2,1-2H3;1-9H,23H2,(H,28,29)
InChIKeyQWSZROQRIFEMHM-UHFFFAOYSA-N
MW825.73 g/mol
LogP7.57
Rot. Bonds6

About 6-(5-amino-3-pyridinyl)-N,N-dimethyl-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,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid (PubChem CID 160540693) has the molecular formula C40H29F6N11O3 and a molecular weight of 825.73 g/mol. Its IUPAC name is 6-(5-amino-3-pyridinyl)-N,N-dimethyl-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,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid
PubChem CID160540693
Molecular FormulaC40H29F6N11O3
Molecular Weight825.73 g/mol
Exact Mass825.24
IUPAC Name6-(5-amino-3-pyridinyl)-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid
SMILESCN(C)C(=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/C21H17F3N6O.C19H12F3N5O2/c1-29(2)20(31)15-7-12(13-6-14(25)10-26-9-13)8-17-16(15)11-27-30(17)19-5-3-4-18(28-19)21(22,23)24;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/h3-11H,25H2,1-2H3;1-9H,23H2,(H,28,29)
InChIKeyQWSZROQRIFEMHM-UHFFFAOYSA-N
XLogP7.57
TPSA196.85 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500825.73
LogP ≤ 57.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-(5-amino-3-pyridinyl)-N,N-dimethyl-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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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-3-pyridinyl)-N,N-dimethyl-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,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid (CID 160540693) is 6-(5-amino-3-pyridinyl)-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid is CN(C)C(=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,N-dimethyl-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 QWSZROQRIFEMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O.C19H12F3N5O2/c1-29(2)20(31)15-7-12(13-6-14(25)10-26-9-13)8-17-16(15)11-27-30(17)19-5-3-4-18(28-19)21(22,23)24;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/h3-11H,25H2,1-2H3;1-9H,23H2,(H,28,29).
What are the key properties of 6-(5-amino-3-pyridinyl)-N,N-dimethyl-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,N-dimethyl-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 825.73 g/mol, XLogP of 7.57, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-pyridinyl)-N,N-dimethyl-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 160540693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).