3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

C24H24ClFN4O2S — CID 87401000

IUPAC3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-c2cnc3ccc(CN(C)CCF)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C24H24ClFN4O2S/c1-15(17-5-3-4-6-18(17)25)32-20-11-21(33-23(20)24(27)31)19-12-28-22-8-7-16(14-30(19)22)13-29(2)10-9-26/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H2,27,31)/t15-/m1/s1
InChIKeyZQFXCOODRODFOE-OAHLLOKOSA-N
MW487.00 g/mol
LogP5.36
Rot. Bonds9

About 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 87401000) has the molecular formula C24H24ClFN4O2S and a molecular weight of 487.00 g/mol. Its IUPAC name is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
PubChem CID87401000
Molecular FormulaC24H24ClFN4O2S
Molecular Weight487.00 g/mol
Exact Mass486.13
IUPAC Name3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-c2cnc3ccc(CN(C)CCF)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C24H24ClFN4O2S/c1-15(17-5-3-4-6-18(17)25)32-20-11-21(33-23(20)24(27)31)19-12-28-22-8-7-16(14-30(19)22)13-29(2)10-9-26/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H2,27,31)/t15-/m1/s1
InChIKeyZQFXCOODRODFOE-OAHLLOKOSA-N
XLogP5.36
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 87401000) is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is C[C@@H](Oc1cc(-c2cnc3ccc(CN(C)CCF)cn23)sc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is ZQFXCOODRODFOE-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24ClFN4O2S/c1-15(17-5-3-4-6-18(17)25)32-20-11-21(33-23(20)24(27)31)19-12-28-22-8-7-16(14-30(19)22)13-29(2)10-9-26/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H2,27,31)/t15-/m1/s1.
What are the key properties of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 487.00 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 87401000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).