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

C23H23ClFN5O2S — CID 87400645

IUPAC3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyrazin-3-yl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-c2cnc3cnc(CN(C)CCF)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C23H23ClFN5O2S/c1-14(16-5-3-4-6-17(16)24)32-19-9-20(33-22(19)23(26)31)18-10-28-21-11-27-15(13-30(18)21)12-29(2)8-7-25/h3-6,9-11,13-14H,7-8,12H2,1-2H3,(H2,26,31)/t14-/m1/s1
InChIKeyCWNDLRNHUHSJEL-CQSZACIVSA-N
MW487.99 g/mol
LogP4.75
Rot. Bonds9

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

3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyrazin-3-yl]thiophene-2-carboxamide (PubChem CID 87400645) has the molecular formula C23H23ClFN5O2S and a molecular weight of 487.99 g/mol. Its IUPAC name is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyrazin-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]pyrazin-3-yl]thiophene-2-carboxamide
PubChem CID87400645
Molecular FormulaC23H23ClFN5O2S
Molecular Weight487.99 g/mol
Exact Mass487.12
IUPAC Name3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyrazin-3-yl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-c2cnc3cnc(CN(C)CCF)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C23H23ClFN5O2S/c1-14(16-5-3-4-6-17(16)24)32-19-9-20(33-22(19)23(26)31)18-10-28-21-11-27-15(13-30(18)21)12-29(2)8-7-25/h3-6,9-11,13-14H,7-8,12H2,1-2H3,(H2,26,31)/t14-/m1/s1
InChIKeyCWNDLRNHUHSJEL-CQSZACIVSA-N
XLogP4.75
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]pyrazin-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]pyrazin-3-yl]thiophene-2-carboxamide (CID 87400645) is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyrazin-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]pyrazin-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]pyrazin-3-yl]thiophene-2-carboxamide is C[C@@H](Oc1cc(-c2cnc3cnc(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]pyrazin-3-yl]thiophene-2-carboxamide?
The InChIKey is CWNDLRNHUHSJEL-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23ClFN5O2S/c1-14(16-5-3-4-6-17(16)24)32-19-9-20(33-22(19)23(26)31)18-10-28-21-11-27-15(13-30(18)21)12-29(2)8-7-25/h3-6,9-11,13-14H,7-8,12H2,1-2H3,(H2,26,31)/t14-/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]pyrazin-3-yl]thiophene-2-carboxamide?
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyrazin-3-yl]thiophene-2-carboxamide has a molecular weight of 487.99 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 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]pyrazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 87400645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).