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

C27H24ClN5O2S — CID 67443062

IUPAC3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-c2cnc3ccc(CN(C)c4ccccn4)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C27H24ClN5O2S/c1-17(19-7-3-4-8-20(19)28)35-22-13-23(36-26(22)27(29)34)21-14-31-25-11-10-18(16-33(21)25)15-32(2)24-9-5-6-12-30-24/h3-14,16-17H,15H2,1-2H3,(H2,29,34)/t17-/m1/s1
InChIKeyVHLIEFKSPNPDJU-QGZVFWFLSA-N
MW518.04 g/mol
LogP5.99
Rot. Bonds8

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

3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 67443062) has the molecular formula C27H24ClN5O2S and a molecular weight of 518.04 g/mol. Its IUPAC name is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
PubChem CID67443062
Molecular FormulaC27H24ClN5O2S
Molecular Weight518.04 g/mol
Exact Mass517.13
IUPAC Name3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-c2cnc3ccc(CN(C)c4ccccn4)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C27H24ClN5O2S/c1-17(19-7-3-4-8-20(19)28)35-22-13-23(36-26(22)27(29)34)21-14-31-25-11-10-18(16-33(21)25)15-32(2)24-9-5-6-12-30-24/h3-14,16-17H,15H2,1-2H3,(H2,29,34)/t17-/m1/s1
InChIKeyVHLIEFKSPNPDJU-QGZVFWFLSA-N
XLogP5.99
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.04
LogP ≤ 55.99
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-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 67443062) is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)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-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is C[C@@H](Oc1cc(-c2cnc3ccc(CN(C)c4ccccn4)cn23)sc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is VHLIEFKSPNPDJU-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H24ClN5O2S/c1-17(19-7-3-4-8-20(19)28)35-22-13-23(36-26(22)27(29)34)21-14-31-25-11-10-18(16-33(21)25)15-32(2)24-9-5-6-12-30-24/h3-14,16-17H,15H2,1-2H3,(H2,29,34)/t17-/m1/s1.
What are the key properties of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 518.04 g/mol, XLogP of 5.99, 8 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-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67443062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).