N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide

C26H29FN4O4 — CID 161223584

IUPACN-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc(OCC(=O)NC23CCC(NC(=O)c4cn5cccc(C)c5n4)(CC2)CC3O)cc1F
InChIInChI=1S/C26H29FN4O4/c1-16-5-6-18(12-19(16)27)35-15-22(33)29-26-9-7-25(8-10-26,13-21(26)32)30-24(34)20-14-31-11-3-4-17(2)23(31)28-20/h3-6,11-12,14,21,32H,7-10,13,15H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyCAHNQMMQXOJFSD-UHFFFAOYSA-N
MW480.54 g/mol
LogP2.83
Rot. Bonds6

About N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 161223584) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID161223584
Molecular FormulaC26H29FN4O4
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC NameN-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc(OCC(=O)NC23CCC(NC(=O)c4cn5cccc(C)c5n4)(CC2)CC3O)cc1F
InChIInChI=1S/C26H29FN4O4/c1-16-5-6-18(12-19(16)27)35-15-22(33)29-26-9-7-25(8-10-26,13-21(26)32)30-24(34)20-14-31-11-3-4-17(2)23(31)28-20/h3-6,11-12,14,21,32H,7-10,13,15H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyCAHNQMMQXOJFSD-UHFFFAOYSA-N
XLogP2.83
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 161223583
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-6-methylpyridine-2-carboxamide
CID 155123683
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-[(2S)-4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-5-carboxamide
CID 159624753
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-5-methoxypyridine-2-carboxamide
CID 155123595
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
[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 155254489
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-ethyl-5-methylpyrazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-methylpyrazole-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 160524504
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-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide
CID 155123573
2-(4-chloro-3-fluorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(6-methoxy-2-pyridinyl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585690
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide
CID 155264686

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 161223584) is N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccc(OCC(=O)NC23CCC(NC(=O)c4cn5cccc(C)c5n4)(CC2)CC3O)cc1F.
What is the InChIKey of N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is CAHNQMMQXOJFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-16-5-6-18(12-19(16)27)35-15-22(33)29-26-9-7-25(8-10-26,13-21(26)32)30-24(34)20-14-31-11-3-4-17(2)23(31)28-20/h3-6,11-12,14,21,32H,7-10,13,15H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 161223584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).