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

C23H19F3N6O2 — CID 118382065

IUPAC5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)20-11-16(3-4-28-20)29-22(33)21-18-10-14(1-2-19(18)30-31-21)15-9-17(13-27-12-15)32-5-7-34-8-6-32/h1-4,9-13H,5-8H2,(H,30,31)(H,28,29,33)
InChIKeyGVPNGWDXHFNKFI-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.13
Rot. Bonds4

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

5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382065) 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-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118382065
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)20-11-16(3-4-28-20)29-22(33)21-18-10-14(1-2-19(18)30-31-21)15-9-17(13-27-12-15)32-5-7-34-8-6-32/h1-4,9-13H,5-8H2,(H,30,31)(H,28,29,33)
InChIKeyGVPNGWDXHFNKFI-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-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide (CID 118382065) is 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccnc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.
What is the InChIKey of 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is GVPNGWDXHFNKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c24-23(25,26)20-11-16(3-4-28-20)29-22(33)21-18-10-14(1-2-19(18)30-31-21)15-9-17(13-27-12-15)32-5-7-34-8-6-32/h1-4,9-13H,5-8H2,(H,30,31)(H,28,29,33).
What are the key properties of 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?
5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)-4-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-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).