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

C25H23F3N4O4 — CID 11432018

IUPACN-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCCNC(=O)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C25H23F3N4O4/c1-34-11-3-10-29-24(33)18-12-22-23(30-14-18)32(16-31-22)19-4-2-5-21(13-19)35-15-17-6-8-20(9-7-17)36-25(26,27)28/h2,4-9,12-14,16H,3,10-11,15H2,1H3,(H,29,33)
InChIKeyYUKRGCKKSWWDTJ-UHFFFAOYSA-N
MW500.48 g/mol
LogP4.66
Rot. Bonds10

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

N-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 11432018) has the molecular formula C25H23F3N4O4 and a molecular weight of 500.48 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID11432018
Molecular FormulaC25H23F3N4O4
Molecular Weight500.48 g/mol
Exact Mass500.17
IUPAC NameN-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCCNC(=O)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C25H23F3N4O4/c1-34-11-3-10-29-24(33)18-12-22-23(30-14-18)32(16-31-22)19-4-2-5-21(13-19)35-15-17-6-8-20(9-7-17)36-25(26,27)28/h2,4-9,12-14,16H,3,10-11,15H2,1H3,(H,29,33)
InChIKeyYUKRGCKKSWWDTJ-UHFFFAOYSA-N
XLogP4.66
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 11432018) is N-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is COCCCNC(=O)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YUKRGCKKSWWDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O4/c1-34-11-3-10-29-24(33)18-12-22-23(30-14-18)32(16-31-22)19-4-2-5-21(13-19)35-15-17-6-8-20(9-7-17)36-25(26,27)28/h2,4-9,12-14,16H,3,10-11,15H2,1H3,(H,29,33).
What are the key properties of N-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
N-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 11432018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).