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

C27H20F3N5O3 — CID 11237697

IUPACN-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C27H20F3N5O3/c28-27(29,30)38-22-8-6-18(7-9-22)16-37-23-5-1-4-21(12-23)35-17-34-24-11-20(15-32-25(24)35)26(36)33-14-19-3-2-10-31-13-19/h1-13,15,17H,14,16H2,(H,33,36)
InChIKeyJSMNILINOHFTHP-UHFFFAOYSA-N
MW519.48 g/mol
LogP5.22
Rot. Bonds8

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

N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 11237697) has the molecular formula C27H20F3N5O3 and a molecular weight of 519.48 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID11237697
Molecular FormulaC27H20F3N5O3
Molecular Weight519.48 g/mol
Exact Mass519.15
IUPAC NameN-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C27H20F3N5O3/c28-27(29,30)38-22-8-6-18(7-9-22)16-37-23-5-1-4-21(12-23)35-17-34-24-11-20(15-32-25(24)35)26(36)33-14-19-3-2-10-31-13-19/h1-13,15,17H,14,16H2,(H,33,36)
InChIKeyJSMNILINOHFTHP-UHFFFAOYSA-N
XLogP5.22
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 11237697) is N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is O=C(NCc1cccnc1)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is JSMNILINOHFTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N5O3/c28-27(29,30)38-22-8-6-18(7-9-22)16-37-23-5-1-4-21(12-23)35-17-34-24-11-20(15-32-25(24)35)26(36)33-14-19-3-2-10-31-13-19/h1-13,15,17H,14,16H2,(H,33,36).
What are the key properties of N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 519.48 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 11237697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).