3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide

C26H21F2N5O2 — CID 135132680

About 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide (PubChem CID 135132680) has the molecular formula C26H21F2N5O2 and a molecular weight of 473.48 g/mol. Its IUPAC name is 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide
• PubChem CID: 135132680
• Molecular Formula: C26H21F2N5O2
• Molecular Weight: 473.48 g/mol
• Exact Mass: 473.17
• IUPAC Name: 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide
• SMILES: O=C(N[C@@H](CO)Cc1cccc2nccn12)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1
• InChI: InChI=1S/C26H21F2N5O2/c27-17-9-7-16(8-10-17)22-14-23(32-31-22)25-20(4-2-5-21(25)28)26(35)30-18(15-34)13-19-3-1-6-24-29-11-12-33(19)24/h1-12,14,18,34H,13,15H2,(H,30,35)(H,31,32)/t18-/m1/s1
• InChIKey: ILDQCAAVYVLCGK-GOSISDBHSA-N
• XLogP: 4.00
• TPSA: 95.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.48
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide?

The IUPAC name of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide (CID 135132680) is 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide.

What is the SMILES notation for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide?

The canonical SMILES for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide is O=C(N[C@@H](CO)Cc1cccc2nccn12)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1.

What is the InChIKey of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide?

The InChIKey is ILDQCAAVYVLCGK-GOSISDBHSA-N. The full InChI is InChI=1S/C26H21F2N5O2/c27-17-9-7-16(8-10-17)22-14-23(32-31-22)25-20(4-2-5-21(25)28)26(35)30-18(15-34)13-19-3-1-6-24-29-11-12-33(19)24/h1-12,14,18,34H,13,15H2,(H,30,35)(H,31,32)/t18-/m1/s1.

What are the key properties of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide?

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide has a molecular weight of 473.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-imidazo[1,2-a]pyridin-5-ylpropan-2-yl]benzamide is sourced from PubChem (CID 135132680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).