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

C23H26ClN3O3 — CID 134807336

IUPAC2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NC1CCOCC1
InChIInChI=1S/C23H26ClN3O3/c1-23(2,22(28)25-18-10-12-29-13-11-18)30-21-19-8-3-4-9-20(19)27(26-21)15-16-6-5-7-17(24)14-16/h3-9,14,18H,10-13,15H2,1-2H3,(H,25,28)
InChIKeyRSAUYOIRNGWIMT-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.19
Rot. Bonds6

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

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide (PubChem CID 134807336) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
PubChem CID134807336
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NC1CCOCC1
InChIInChI=1S/C23H26ClN3O3/c1-23(2,22(28)25-18-10-12-29-13-11-18)30-21-19-8-3-4-9-20(19)27(26-21)15-16-6-5-7-17(24)14-16/h3-9,14,18H,10-13,15H2,1-2H3,(H,25,28)
InChIKeyRSAUYOIRNGWIMT-UHFFFAOYSA-N
XLogP4.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-Fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 127047644
1H-Indazole, 1-(o-chlorobenzyl)-3-(3-(dimethylamino)propoxy)-, monohydrochloride
CID 200437
3-chloro-N-(2-methoxyethyl)-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
CID 16682629
(2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine
CID 155569141
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
CID 134807094
2-[1-[(3-Chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 134807876
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134808475
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134809871
1H-Indazole, 1-benzyl-5-chloro-3-(3-(dimethylamino)propoxy)-, monohydrochloride
CID 198816
1H-Indazole, 1-(p-chlorobenzyl)-3-(3-(dimethylamino)propoxy)-, monohydrochloride
CID 198938
1H-Indazole, 1-benzyl-5-chloro-3-(2-(dimethylamino)ethoxy)-, monohydrochloride
CID 199621
1H-Indazole, 1-(p-chlorobenzyl)-3-(2-(dimethylamino)ethoxy)-, monohydrochloride
CID 200253

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide (CID 134807336) is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide is CC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NC1CCOCC1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide?
The InChIKey is RSAUYOIRNGWIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-23(2,22(28)25-18-10-12-29-13-11-18)30-21-19-8-3-4-9-20(19)27(26-21)15-16-6-5-7-17(24)14-16/h3-9,14,18H,10-13,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide?
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide has a molecular weight of 427.93 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 134807336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).