N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide

C24H21F3N4O4 — CID 11465893

IUPACN-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H21F3N4O4/c1-33-11-10-28-23(32)17-12-21-22(29-13-17)31(15-30-21)18-4-8-19(9-5-18)34-14-16-2-6-20(7-3-16)35-24(25,26)27/h2-9,12-13,15H,10-11,14H2,1H3,(H,28,32)
InChIKeyGPNDCMNBOFMJHV-UHFFFAOYSA-N
MW486.45 g/mol
LogP4.27
Rot. Bonds9

About N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide

N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 11465893) has the molecular formula C24H21F3N4O4 and a molecular weight of 486.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID11465893
Molecular FormulaC24H21F3N4O4
Molecular Weight486.45 g/mol
Exact Mass486.15
IUPAC NameN-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H21F3N4O4/c1-33-11-10-28-23(32)17-12-21-22(29-13-17)31(15-30-21)18-4-8-19(9-5-18)34-14-16-2-6-20(7-3-16)35-24(25,26)27/h2-9,12-13,15H,10-11,14H2,1H3,(H,28,32)
InChIKeyGPNDCMNBOFMJHV-UHFFFAOYSA-N
XLogP4.27
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 11238430
N-[3-(4-methylpiperazin-1-yl)propyl]-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 11273057
3-(3-methoxyphenyl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 11198589
3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176503834
N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 67011817
3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid
CID 59815650
[4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate
CID 47021865
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine
CID 68524977
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide
CID 91496150
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 11465893) is N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is COCCNC(=O)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is GPNDCMNBOFMJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O4/c1-33-11-10-28-23(32)17-12-21-22(29-13-17)31(15-30-21)18-4-8-19(9-5-18)34-14-16-2-6-20(7-3-16)35-24(25,26)27/h2-9,12-13,15H,10-11,14H2,1H3,(H,28,32).
What are the key properties of N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 486.45 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 11465893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).