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

C23H20F3N7O2 — CID 118381692

IUPAC5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C23H20F3N7O2/c24-23(25,26)22-28-11-17(12-29-22)30-21(34)20-18-8-15(1-2-19(18)31-32-20)16-7-14(9-27-10-16)13-33-3-5-35-6-4-33/h1-2,7-12H,3-6,13H2,(H,30,34)(H,31,32)
InChIKeyKEDIYNGMHZMZLY-UHFFFAOYSA-N
MW483.45 g/mol
LogP3.52
Rot. Bonds5

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

5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide (PubChem CID 118381692) has the molecular formula C23H20F3N7O2 and a molecular weight of 483.45 g/mol. Its IUPAC name is 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
PubChem CID118381692
Molecular FormulaC23H20F3N7O2
Molecular Weight483.45 g/mol
Exact Mass483.16
IUPAC Name5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C23H20F3N7O2/c24-23(25,26)22-28-11-17(12-29-22)30-21(34)20-18-8-15(1-2-19(18)31-32-20)16-7-14(9-27-10-16)13-33-3-5-35-6-4-33/h1-2,7-12H,3-6,13H2,(H,30,34)(H,31,32)
InChIKeyKEDIYNGMHZMZLY-UHFFFAOYSA-N
XLogP3.52
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide (CID 118381692) is 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide is O=C(Nc1cnc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.
What is the InChIKey of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
The InChIKey is KEDIYNGMHZMZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O2/c24-23(25,26)22-28-11-17(12-29-22)30-21(34)20-18-8-15(1-2-19(18)31-32-20)16-7-14(9-27-10-16)13-33-3-5-35-6-4-33/h1-2,7-12H,3-6,13H2,(H,30,34)(H,31,32).
What are the key properties of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).