2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide

C22H27ClN4O2 — CID 134808475

IUPAC2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
SMILESCN(C)CCNC(=O)C(C)(C)Oc1nn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C22H27ClN4O2/c1-22(2,21(28)24-12-13-26(3)4)29-20-18-10-5-6-11-19(18)27(25-20)15-16-8-7-9-17(23)14-16/h5-11,14H,12-13,15H2,1-4H3,(H,24,28)
InChIKeyBRBILSITDTUMDF-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.57
Rot. Bonds8

About 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide (PubChem CID 134808475) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
PubChem CID134808475
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
SMILESCN(C)CCNC(=O)C(C)(C)Oc1nn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C22H27ClN4O2/c1-22(2,21(28)24-12-13-26(3)4)29-20-18-10-5-6-11-19(18)27(25-20)15-16-8-7-9-17(23)14-16/h5-11,14H,12-13,15H2,1-4H3,(H,24,28)
InChIKeyBRBILSITDTUMDF-UHFFFAOYSA-N
XLogP3.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 134808502
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-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
CID 134809742
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, 1-butyl-5-chloro-3-(2-(dimethylamino)ethoxy)-, monohydrochloride
CID 200257
1H-Indazole, 1-benzyl-6-chloro-3-(2-(dimethylamino)ethoxy)-, monohydrochloride
CID 200261
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide (CID 134808475) is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide is CN(C)CCNC(=O)C(C)(C)Oc1nn(Cc2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The InChIKey is BRBILSITDTUMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-22(2,21(28)24-12-13-26(3)4)29-20-18-10-5-6-11-19(18)27(25-20)15-16-8-7-9-17(23)14-16/h5-11,14H,12-13,15H2,1-4H3,(H,24,28).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide has a molecular weight of 414.94 g/mol, XLogP of 3.57, 8 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-N-[2-(dimethylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 134808475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).