N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride

C26H20Cl2FN5O2 — CID 68812387

About N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride

N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride (PubChem CID 68812387) has the molecular formula C26H20Cl2FN5O2 and a molecular weight of 524.38 g/mol. Its IUPAC name is N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride
• PubChem CID: 68812387
• Molecular Formula: C26H20Cl2FN5O2
• Molecular Weight: 524.38 g/mol
• Exact Mass: 523.10
• IUPAC Name: N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride
• SMILES: C[C@@H](NC(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F)C(=O)c1cccc(Cl)c1.Cl
• InChI: InChI=1S/C26H19ClFN5O2.ClH/c1-15(25(34)17-3-2-4-20(27)9-17)32-26(35)21-7-5-16(10-22(21)28)23-13-29-24-8-6-18(14-33(23)24)19-11-30-31-12-19;/h2-15H,1H3,(H,30,31)(H,32,35);1H/t15-;/m1./s1
• InChIKey: QTCDGXVZMVDLIR-XFULWGLBSA-N
• XLogP: 5.61
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.38
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?

The IUPAC name of N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride (CID 68812387) is N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride.

What is the SMILES notation for N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?

The canonical SMILES for N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride is C[C@@H](NC(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F)C(=O)c1cccc(Cl)c1.Cl.

What is the InChIKey of N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?

The InChIKey is QTCDGXVZMVDLIR-XFULWGLBSA-N. The full InChI is InChI=1S/C26H19ClFN5O2.ClH/c1-15(25(34)17-3-2-4-20(27)9-17)32-26(35)21-7-5-16(10-22(21)28)23-13-29-24-8-6-18(14-33(23)24)19-11-30-31-12-19;/h2-15H,1H3,(H,30,31)(H,32,35);1H/t15-;/m1./s1.

What are the key properties of N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?

N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride has a molecular weight of 524.38 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 68812387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).