7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide

C22H24F2N4O4 — CID 177176752

IUPAC7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(N)=O)cc(Oc3ccc(OCC(F)(F)CN4CCOCC4)cc3)c21
InChIInChI=1S/C22H24F2N4O4/c1-27-20-16(12-26-27)10-15(21(25)29)11-19(20)32-18-4-2-17(3-5-18)31-14-22(23,24)13-28-6-8-30-9-7-28/h2-5,10-12H,6-9,13-14H2,1H3,(H2,25,29)
InChIKeyWCOVAJMXRUDAFB-UHFFFAOYSA-N
MW446.45 g/mol
LogP2.81
Rot. Bonds8

About 7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide

7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide (PubChem CID 177176752) has the molecular formula C22H24F2N4O4 and a molecular weight of 446.45 g/mol. Its IUPAC name is 7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide.

Molecular Properties

Compound Name7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide
PubChem CID177176752
Molecular FormulaC22H24F2N4O4
Molecular Weight446.45 g/mol
Exact Mass446.18
IUPAC Name7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(N)=O)cc(Oc3ccc(OCC(F)(F)CN4CCOCC4)cc3)c21
InChIInChI=1S/C22H24F2N4O4/c1-27-20-16(12-26-27)10-15(21(25)29)11-19(20)32-18-4-2-17(3-5-18)31-14-22(23,24)13-28-6-8-30-9-7-28/h2-5,10-12H,6-9,13-14H2,1H3,(H2,25,29)
InChIKeyWCOVAJMXRUDAFB-UHFFFAOYSA-N
XLogP2.81
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide?
The IUPAC name of 7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide (CID 177176752) is 7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide.
What is the SMILES notation for 7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide?
The canonical SMILES for 7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide is Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCC(F)(F)CN4CCOCC4)cc3)c21.
What is the InChIKey of 7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide?
The InChIKey is WCOVAJMXRUDAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O4/c1-27-20-16(12-26-27)10-15(21(25)29)11-19(20)32-18-4-2-17(3-5-18)31-14-22(23,24)13-28-6-8-30-9-7-28/h2-5,10-12H,6-9,13-14H2,1H3,(H2,25,29).
What are the key properties of 7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide?
7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide is sourced from PubChem (CID 177176752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).