6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

C22H19F3N6O — CID 118663628

IUPAC6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H19F3N6O/c1-12(26)16-5-3-6-17(29-16)13-9-14(21(32)27-2)15-11-28-31(18(15)10-13)20-8-4-7-19(30-20)22(23,24)25/h3-12H,26H2,1-2H3,(H,27,32)
InChIKeyLISUTMWLZBGNKA-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.88
Rot. Bonds4

About 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (PubChem CID 118663628) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
PubChem CID118663628
Molecular FormulaC22H19F3N6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC Name6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H19F3N6O/c1-12(26)16-5-3-6-17(29-16)13-9-14(21(32)27-2)15-11-28-31(18(15)10-13)20-8-4-7-19(30-20)22(23,24)25/h3-12H,26H2,1-2H3,(H,27,32)
InChIKeyLISUTMWLZBGNKA-UHFFFAOYSA-N
XLogP3.88
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The IUPAC name of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (CID 118663628) is 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is CNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The InChIKey is LISUTMWLZBGNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O/c1-12(26)16-5-3-6-17(29-16)13-9-14(21(32)27-2)15-11-28-31(18(15)10-13)20-8-4-7-19(30-20)22(23,24)25/h3-12H,26H2,1-2H3,(H,27,32).
What are the key properties of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 118663628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).