6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide

C22H23FN4O5 — CID 177176599

IUPAC6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(N)=O)c(Oc3ccc(OCCC(=O)N4CCOCC4)cc3F)cc21
InChIInChI=1S/C22H23FN4O5/c1-26-18-12-20(16(22(24)29)10-14(18)13-25-26)32-19-3-2-15(11-17(19)23)31-7-4-21(28)27-5-8-30-9-6-27/h2-3,10-13H,4-9H2,1H3,(H2,24,29)
InChIKeyYTMJLXUBOJBINP-UHFFFAOYSA-N
MW442.45 g/mol
LogP2.23
Rot. Bonds7

About 6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide

6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide (PubChem CID 177176599) has the molecular formula C22H23FN4O5 and a molecular weight of 442.45 g/mol. Its IUPAC name is 6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide.

Molecular Properties

Compound Name6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide
PubChem CID177176599
Molecular FormulaC22H23FN4O5
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC Name6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(N)=O)c(Oc3ccc(OCCC(=O)N4CCOCC4)cc3F)cc21
InChIInChI=1S/C22H23FN4O5/c1-26-18-12-20(16(22(24)29)10-14(18)13-25-26)32-19-3-2-15(11-17(19)23)31-7-4-21(28)27-5-8-30-9-6-27/h2-3,10-13H,4-9H2,1H3,(H2,24,29)
InChIKeyYTMJLXUBOJBINP-UHFFFAOYSA-N
XLogP2.23
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-fluoro-4-[3-oxo-3-(3-oxopiperazin-1-yl)propoxy]phenoxy]-1-methylindazole-5-carboxamide
CID 177176235
6-(4-hydroxyphenoxy)-1-methylindazole-5-carboxamide
CID 177176482
6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]-1-(trideuteriomethyl)indazole-5-carboxamide
CID 177176588
6-[4-[2-[(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)amino]ethoxy]phenoxy]-1-methylindazole-5-carboxamide
CID 177176687
1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide
CID 177176510
3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 60635766
methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate
CID 177176603
1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide
CID 177176730
7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide
CID 177176752
5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106956085
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 107720138
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide?
The IUPAC name of 6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide (CID 177176599) is 6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide.
What is the SMILES notation for 6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide?
The canonical SMILES for 6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide is Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCC(=O)N4CCOCC4)cc3F)cc21.
What is the InChIKey of 6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide?
The InChIKey is YTMJLXUBOJBINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O5/c1-26-18-12-20(16(22(24)29)10-14(18)13-25-26)32-19-3-2-15(11-17(19)23)31-7-4-21(28)27-5-8-30-9-6-27/h2-3,10-13H,4-9H2,1H3,(H2,24,29).
What are the key properties of 6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide?
6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-(3-morpholin-4-yl-3-oxopropoxy)phenoxy]-1-methylindazole-5-carboxamide is sourced from PubChem (CID 177176599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).