N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid)

C25H20ClF6N5O5 — CID 117074633

About N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid)

N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 117074633) has the molecular formula C25H20ClF6N5O5 and a molecular weight of 619.91 g/mol. Its IUPAC name is N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 117074633
• Molecular Formula: C25H20ClF6N5O5
• Molecular Weight: 619.91 g/mol
• Exact Mass: 619.11
• IUPAC Name: N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC(=O)N[C@H](Cc1ccc(Cl)cc1)c1nc2ncc(-c3ccncc3)cc2[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H18ClN5O.2C2HF3O2/c1-13(28)25-18(10-14-2-4-17(22)5-3-14)21-26-19-11-16(12-24-20(19)27-21)15-6-8-23-9-7-15;2*3-2(4,5)1(6)7/h2-9,11-12,18H,10H2,1H3,(H,25,28)(H,24,26,27);2*(H,6,7)/t18-;;/m1../s1
• InChIKey: OEDNXADTCMHCQR-JPKZNVRTSA-N
• XLogP: 5.36
• TPSA: 158.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.91
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 117074633) is N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid) is CC(=O)N[C@H](Cc1ccc(Cl)cc1)c1nc2ncc(-c3ccncc3)cc2[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is OEDNXADTCMHCQR-JPKZNVRTSA-N. The full InChI is InChI=1S/C21H18ClN5O.2C2HF3O2/c1-13(28)25-18(10-14-2-4-17(22)5-3-14)21-26-19-11-16(12-24-20(19)27-21)15-6-8-23-9-7-15;2*3-2(4,5)1(6)7/h2-9,11-12,18H,10H2,1H3,(H,25,28)(H,24,26,27);2*(H,6,7)/t18-;;/m1../s1.

What are the key properties of N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid)?

N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 619.91 g/mol, XLogP of 5.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 117074633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).