5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

C23H19F3N6O2 — CID 118381865

IUPAC5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ncccc1C(F)(F)F)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)18-2-1-5-28-21(18)29-22(33)20-17-11-14(3-4-19(17)30-31-20)15-10-16(13-27-12-15)32-6-8-34-9-7-32/h1-5,10-13H,6-9H2,(H,30,31)(H,28,29,33)
InChIKeyQXJZMCIQAGXIQM-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.13
Rot. Bonds4

About 5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381865) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381865
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ncccc1C(F)(F)F)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)18-2-1-5-28-21(18)29-22(33)20-17-11-14(3-4-19(17)30-31-20)15-10-16(13-27-12-15)32-6-8-34-9-7-32/h1-5,10-13H,6-9H2,(H,30,31)(H,28,29,33)
InChIKeyQXJZMCIQAGXIQM-UHFFFAOYSA-N
XLogP4.13
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (CID 118381865) is 5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ncccc1C(F)(F)F)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.
What is the InChIKey of 5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is QXJZMCIQAGXIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c24-23(25,26)18-2-1-5-28-21(18)29-22(33)20-17-11-14(3-4-19(17)30-31-20)15-10-16(13-27-12-15)32-6-8-34-9-7-32/h1-5,10-13H,6-9H2,(H,30,31)(H,28,29,33).
What are the key properties of 5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-morpholin-4-yl-3-pyridinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).