1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide

C23H24N4O5 — CID 177176730

IUPAC1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide
SMILESCn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCC(=O)N4C5COCC4C5)cc3)c21
InChIInChI=1S/C23H24N4O5/c1-26-22-15(11-25-26)8-14(23(24)29)9-20(22)32-19-4-2-18(3-5-19)31-7-6-21(28)27-16-10-17(27)13-30-12-16/h2-5,8-9,11,16-17H,6-7,10,12-13H2,1H3,(H2,24,29)
InChIKeyKHMPJDBNAZLESL-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.23
Rot. Bonds7

About 1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide

1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide (PubChem CID 177176730) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide
PubChem CID177176730
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide
SMILESCn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCC(=O)N4C5COCC4C5)cc3)c21
InChIInChI=1S/C23H24N4O5/c1-26-22-15(11-25-26)8-14(23(24)29)9-20(22)32-19-4-2-18(3-5-19)31-7-6-21(28)27-16-10-17(27)13-30-12-16/h2-5,8-9,11,16-17H,6-7,10,12-13H2,1H3,(H2,24,29)
InChIKeyKHMPJDBNAZLESL-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 ≤ 500436.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide with MolForge

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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-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide
CID 177176324
7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide
CID 177176752
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
6-[4-[2-[(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)amino]ethoxy]phenoxy]-1-methylindazole-5-carboxamide
CID 177176687
ethyl 7-acetyloxy-1-methylindazole-5-carboxylate
CID 170986034
4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 119632269
6-[2-fluoro-4-[3-oxo-3-(3-oxopiperazin-1-yl)propoxy]phenoxy]-1-methylindazole-5-carboxamide
CID 177176235

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide?
The IUPAC name of 1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide (CID 177176730) is 1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide.
What is the SMILES notation for 1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide?
The canonical SMILES for 1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide is Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCC(=O)N4C5COCC4C5)cc3)c21.
What is the InChIKey of 1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide?
The InChIKey is KHMPJDBNAZLESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-26-22-15(11-25-26)8-14(23(24)29)9-20(22)32-19-4-2-18(3-5-19)31-7-6-21(28)27-16-10-17(27)13-30-12-16/h2-5,8-9,11,16-17H,6-7,10,12-13H2,1H3,(H2,24,29).
What are the key properties of 1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide?
1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide has a molecular weight of 436.47 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 1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide is sourced from PubChem (CID 177176730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).