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

C22H18F3N7O2 — CID 118381733

IUPAC5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C22H18F3N7O2/c23-22(24,25)21-27-10-15(11-28-21)29-20(33)19-17-8-13(1-2-18(17)30-31-19)14-7-16(12-26-9-14)32-3-5-34-6-4-32/h1-2,7-12H,3-6H2,(H,29,33)(H,30,31)
InChIKeyIAJDCDXKEVKCAK-UHFFFAOYSA-N
MW469.43 g/mol
LogP3.52
Rot. Bonds4

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

5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide (PubChem CID 118381733) has the molecular formula C22H18F3N7O2 and a molecular weight of 469.43 g/mol. Its IUPAC name is 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
PubChem CID118381733
Molecular FormulaC22H18F3N7O2
Molecular Weight469.43 g/mol
Exact Mass469.15
IUPAC Name5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C22H18F3N7O2/c23-22(24,25)21-27-10-15(11-28-21)29-20(33)19-17-8-13(1-2-18(17)30-31-19)14-7-16(12-26-9-14)32-3-5-34-6-4-32/h1-2,7-12H,3-6H2,(H,29,33)(H,30,31)
InChIKeyIAJDCDXKEVKCAK-UHFFFAOYSA-N
XLogP3.52
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
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-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide (CID 118381733) is 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-morpholin-4-yl-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(N4CCOCC4)c3)cc12.
What is the InChIKey of 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
The InChIKey is IAJDCDXKEVKCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7O2/c23-22(24,25)21-27-10-15(11-28-21)29-20(33)19-17-8-13(1-2-18(17)30-31-19)14-7-16(12-26-9-14)32-3-5-34-6-4-32/h1-2,7-12H,3-6H2,(H,29,33)(H,30,31).
What are the key properties of 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide has a molecular weight of 469.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-morpholin-4-yl-3-pyridinyl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).