2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide

C25H31N3O4 — CID 134807094

IUPAC2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NC1CCOCC1)nn2Cc1ccccc1
InChIInChI=1S/C25H31N3O4/c1-25(2,24(29)26-20-11-13-31-14-12-20)32-23-21-15-19(17-30-3)9-10-22(21)28(27-23)16-18-7-5-4-6-8-18/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,26,29)
InChIKeyMRIQQIGNWWPBTC-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.68
Rot. Bonds8

About 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide

2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide (PubChem CID 134807094) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
PubChem CID134807094
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NC1CCOCC1)nn2Cc1ccccc1
InChIInChI=1S/C25H31N3O4/c1-25(2,24(29)26-20-11-13-31-14-12-20)32-23-21-15-19(17-30-3)9-10-22(21)28(27-23)16-18-7-5-4-6-8-18/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,26,29)
InChIKeyMRIQQIGNWWPBTC-UHFFFAOYSA-N
XLogP3.68
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 48995254
2-[5-Fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 127047644
N-(2-methylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155516305
N-(2-ethylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155519116
2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide
CID 155549666
2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134806428
N-(1-methylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155513499
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134808475
2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
CID 134809742
2-[5-(Methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one
CID 134809864
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134809871
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 134810046

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide?
The IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide (CID 134807094) is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide.
What is the SMILES notation for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide?
The canonical SMILES for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NC1CCOCC1)nn2Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide?
The InChIKey is MRIQQIGNWWPBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-25(2,24(29)26-20-11-13-31-14-12-20)32-23-21-15-19(17-30-3)9-10-22(21)28(27-23)16-18-7-5-4-6-8-18/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,26,29).
What are the key properties of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide?
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide has a molecular weight of 437.54 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 134807094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).