2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one

C25H31N3O5 — CID 134809864

IUPAC2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)N1CCOCC1)nn2Cc1cccc(OC)c1
InChIInChI=1S/C25H31N3O5/c1-25(2,24(29)27-10-12-32-13-11-27)33-23-21-15-19(17-30-3)8-9-22(21)28(26-23)16-18-6-5-7-20(14-18)31-4/h5-9,14-15H,10-13,16-17H2,1-4H3
InChIKeyCCSWIJSRCOVXNJ-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.26
Rot. Bonds8

About 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one

2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one (PubChem CID 134809864) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one
PubChem CID134809864
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)N1CCOCC1)nn2Cc1cccc(OC)c1
InChIInChI=1S/C25H31N3O5/c1-25(2,24(29)27-10-12-32-13-11-27)33-23-21-15-19(17-30-3)8-9-22(21)28(26-23)16-18-6-5-7-20(14-18)31-4/h5-9,14-15H,10-13,16-17H2,1-4H3
InChIKeyCCSWIJSRCOVXNJ-UHFFFAOYSA-N
XLogP3.26
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one (CID 134809864) is 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one is COCc1ccc2c(c1)c(OC(C)(C)C(=O)N1CCOCC1)nn2Cc1cccc(OC)c1.
What is the InChIKey of 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is CCSWIJSRCOVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-25(2,24(29)27-10-12-32-13-11-27)33-23-21-15-19(17-30-3)8-9-22(21)28(26-23)16-18-6-5-7-20(14-18)31-4/h5-9,14-15H,10-13,16-17H2,1-4H3.
What are the key properties of 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one?
2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 453.54 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 134809864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).