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

C24H29ClN4O3 — CID 134805061

IUPAC2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCCN1CCOCC1
InChIInChI=1S/C24H29ClN4O3/c1-24(2,23(30)26-10-11-28-12-14-31-15-13-28)32-22-20-8-3-4-9-21(20)29(27-22)17-18-6-5-7-19(25)16-18/h3-9,16H,10-15,17H2,1-2H3,(H,26,30)
InChIKeyJZCBQEREDHWOHP-UHFFFAOYSA-N
MW456.97 g/mol
LogP3.34
Rot. Bonds8

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

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 134805061) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID134805061
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCCN1CCOCC1
InChIInChI=1S/C24H29ClN4O3/c1-24(2,23(30)26-10-11-28-12-14-31-15-13-28)32-22-20-8-3-4-9-21(20)29(27-22)17-18-6-5-7-19(25)16-18/h3-9,16H,10-15,17H2,1-2H3,(H,26,30)
InChIKeyJZCBQEREDHWOHP-UHFFFAOYSA-N
XLogP3.34
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-Fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylethanone
CID 127047643
2-[5-Fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 127047644
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-benzyl-5-chloro-3-(2-(dimethylamino)ethoxy)-, monohydrochloride
CID 199621
1H-Indazole, 1-(p-chlorobenzyl)-3-(2-(dimethylamino)ethoxy)-, monohydrochloride
CID 200253
1H-Indazole, 5-chloro-3-(2-(dimethylamino)ethoxy)-1-(p-methoxybenzyl)-, monohydrochloride
CID 200419
1H-Indazole, 1-(m-chlorobenzyl)-3-(3-(dimethylamino)propoxy)-, monohydrochloride
CID 200594
2-(4-Chlorophenyl)-1-[3-(3-piperidin-1-ylpropoxy)indazol-1-yl]ethanone
CID 153979974

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (CID 134805061) is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is CC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is JZCBQEREDHWOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-24(2,23(30)26-10-11-28-12-14-31-15-13-28)32-22-20-8-3-4-9-21(20)29(27-22)17-18-6-5-7-19(25)16-18/h3-9,16H,10-15,17H2,1-2H3,(H,26,30).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 456.97 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 134805061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).