N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide

C27H32N4O5 — CID 154699043

IUPACN-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC23CCC(NC(=O)COc4ccc5c(C)[nH]nc5c4)(CC2)[C@H](O)C3)cc1
InChIInChI=1S/C27H32N4O5/c1-17-3-5-19(6-4-17)35-15-24(33)28-26-9-11-27(12-10-26,23(32)14-26)29-25(34)16-36-20-7-8-21-18(2)30-31-22(21)13-20/h3-8,13,23,32H,9-12,14-16H2,1-2H3,(H,28,33)(H,29,34)(H,30,31)/t23-,26?,27?/m1/s1
InChIKeyYDBPFKUFTFTYMW-OMXGPXTPSA-N
MW492.58 g/mol
LogP2.69
Rot. Bonds8

About N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide

N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide (PubChem CID 154699043) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide
PubChem CID154699043
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC NameN-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC23CCC(NC(=O)COc4ccc5c(C)[nH]nc5c4)(CC2)[C@H](O)C3)cc1
InChIInChI=1S/C27H32N4O5/c1-17-3-5-19(6-4-17)35-15-24(33)28-26-9-11-27(12-10-26,23(32)14-26)29-25(34)16-36-20-7-8-21-18(2)30-31-22(21)13-20/h3-8,13,23,32H,9-12,14-16H2,1-2H3,(H,28,33)(H,29,34)(H,30,31)/t23-,26?,27?/m1/s1
InChIKeyYDBPFKUFTFTYMW-OMXGPXTPSA-N
XLogP2.69
TPSA125.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenoxy)-N-[(3S)-4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585841
3-(difluoromethyl)-N-[(3S)-3-hydroxy-4-[[2-(4-methylphenoxy)acetyl]amino]-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide
CID 142586382
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(4-fluorophenoxy)acetamide
CID 142585754
N-[(3S)-4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
CID 142585625
N-[(3R)-3-hydroxy-4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 154698971
2-(4-fluorophenoxy)-N-[(3S)-4-[[2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585918
2-[4-chloro-3-(hydroxymethyl)phenoxy]-N-[(3R)-4-[[2-[4-chloro-3-(hydroxymethyl)phenoxy]acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 154699002
N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide
CID 155092876
[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 155254489
N-[(3S)-4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide
CID 155303010
N-[(2R)-4-[[2-(3-fluoro-4-methylsulfonylphenoxy)acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 154698959
[4-[[2-[3-(difluoromethyl)-4-fluorophenoxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 155285798

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide (CID 154699043) is N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC23CCC(NC(=O)COc4ccc5c(C)[nH]nc5c4)(CC2)[C@H](O)C3)cc1.
What is the InChIKey of N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is YDBPFKUFTFTYMW-OMXGPXTPSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-17-3-5-19(6-4-17)35-15-24(33)28-26-9-11-27(12-10-26,23(32)14-26)29-25(34)16-36-20-7-8-21-18(2)30-31-22(21)13-20/h3-8,13,23,32H,9-12,14-16H2,1-2H3,(H,28,33)(H,29,34)(H,30,31)/t23-,26?,27?/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide?
N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 492.58 g/mol, XLogP of 2.69, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 154699043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).