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

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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).