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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Related Compounds

7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide
CID 177176497
1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide
CID 177176744
1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide
CID 177176730
1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide
CID 177176324
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]-1-(trideuteriomethyl)indazole-5-carboxamide
CID 177176588
6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide
CID 177176599
1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide
CID 177176510
6-(4-hydroxyphenoxy)-1-methylindazole-5-carboxamide
CID 177176482
3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate
CID 175206818
3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 83283817

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).