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

C24H29ClN4O2 — CID 134807344

IUPAC2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(C)(C)Oc2nn(Cc3cccc(Cl)c3)c3ccccc23)CC1
InChIInChI=1S/C24H29ClN4O2/c1-24(2,23(30)26-19-11-13-28(3)14-12-19)31-22-20-9-4-5-10-21(20)29(27-22)16-17-7-6-8-18(25)15-17/h4-10,15,19H,11-14,16H2,1-3H3,(H,26,30)
InChIKeyABJNJRBXSBVSGK-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.11
Rot. Bonds6

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

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 134807344) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID134807344
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(C)(C)Oc2nn(Cc3cccc(Cl)c3)c3ccccc23)CC1
InChIInChI=1S/C24H29ClN4O2/c1-24(2,23(30)26-19-11-13-28(3)14-12-19)31-22-20-9-4-5-10-21(20)29(27-22)16-17-7-6-8-18(25)15-17/h4-10,15,19H,11-14,16H2,1-3H3,(H,26,30)
InChIKeyABJNJRBXSBVSGK-UHFFFAOYSA-N
XLogP4.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.11
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
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-(2-(dimethylamino)ethoxy)-, monohydrochloride
CID 199621
1H-Indazole, 1-(p-chlorobenzyl)-3-(2-(dimethylamino)ethoxy)-, monohydrochloride
CID 200253
1H-Indazole, 1-(m-chlorobenzyl)-3-(3-(dimethylamino)propoxy)-, monohydrochloride
CID 200594
2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide
CID 134809964
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide
CID 134805060
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 134805061
2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide
CID 134805067

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 134807344) is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(NC(=O)C(C)(C)Oc2nn(Cc3cccc(Cl)c3)c3ccccc23)CC1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is ABJNJRBXSBVSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-24(2,23(30)26-19-11-13-28(3)14-12-19)31-22-20-9-4-5-10-21(20)29(27-22)16-17-7-6-8-18(25)15-17/h4-10,15,19H,11-14,16H2,1-3H3,(H,26,30).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 440.98 g/mol, XLogP of 4.11, 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-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 134807344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).