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

C24H23ClN4O2 — CID 134807064

IUPAC2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCc1ccncc1
InChIInChI=1S/C24H23ClN4O2/c1-24(2,23(30)27-15-17-10-12-26-13-11-17)31-22-20-8-3-4-9-21(20)29(28-22)16-18-6-5-7-19(25)14-18/h3-14H,15-16H2,1-2H3,(H,27,30)
InChIKeyUFWHWGRHGBGFLK-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.61
Rot. Bonds7

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

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 134807064) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID134807064
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCc1ccncc1
InChIInChI=1S/C24H23ClN4O2/c1-24(2,23(30)27-15-17-10-12-26-13-11-17)31-22-20-8-3-4-9-21(20)29(28-22)16-18-6-5-7-19(25)14-18/h3-14H,15-16H2,1-2H3,(H,27,30)
InChIKeyUFWHWGRHGBGFLK-UHFFFAOYSA-N
XLogP4.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.61
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-[(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-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 134810046
US10150728, Example I-387
CID 122497784
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134809900
2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide
CID 134806442
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide
CID 134810138
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-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide
CID 134806130
2-methyl-2-[1-(oxan-4-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide
CID 134806782

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide (CID 134807064) is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide is CC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCc1ccncc1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is UFWHWGRHGBGFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-24(2,23(30)27-15-17-10-12-26-13-11-17)31-22-20-8-3-4-9-21(20)29(28-22)16-18-6-5-7-19(25)14-18/h3-14H,15-16H2,1-2H3,(H,27,30).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 434.93 g/mol, XLogP of 4.61, 7 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-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 134807064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).