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

C25H24F3N5O3 — CID 11352519

IUPACN-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(C)CCNC(=O)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C25H24F3N5O3/c1-32(2)11-10-29-24(34)18-12-22-23(30-14-18)33(16-31-22)19-4-3-5-21(13-19)35-15-17-6-8-20(9-7-17)36-25(26,27)28/h3-9,12-14,16H,10-11,15H2,1-2H3,(H,29,34)
InChIKeyDKHTXQGXCNDLRO-UHFFFAOYSA-N
MW499.49 g/mol
LogP4.19
Rot. Bonds9

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

N-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 11352519) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID11352519
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(C)CCNC(=O)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C25H24F3N5O3/c1-32(2)11-10-29-24(34)18-12-22-23(30-14-18)33(16-31-22)19-4-3-5-21(13-19)35-15-17-6-8-20(9-7-17)36-25(26,27)28/h3-9,12-14,16H,10-11,15H2,1-2H3,(H,29,34)
InChIKeyDKHTXQGXCNDLRO-UHFFFAOYSA-N
XLogP4.19
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 11352519) is N-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is CN(C)CCNC(=O)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is DKHTXQGXCNDLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c1-32(2)11-10-29-24(34)18-12-22-23(30-14-18)33(16-31-22)19-4-3-5-21(13-19)35-15-17-6-8-20(9-7-17)36-25(26,27)28/h3-9,12-14,16H,10-11,15H2,1-2H3,(H,29,34).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
N-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 499.49 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 11352519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).