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

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 Name: 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
• Molecular Formula: C27H24ClN5O2S
• Molecular Weight: 518.04 g/mol
• Exact Mass: 517.13
• IUPAC Name: 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
• SMILES: C[C@@H](Oc1cc(-c2cnc3ccc(CN(C)c4ccccn4)cn23)sc1C(N)=O)c1ccccc1Cl
• InChI: 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
• InChIKey: VHLIEFKSPNPDJU-QGZVFWFLSA-N
• XLogP: 5.99
• TPSA: 85.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.04
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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).