5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C29H25F3N4O3 — CID 157233634

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 157233634) has the molecular formula C29H25F3N4O3 and a molecular weight of 534.54 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• PubChem CID: 157233634
• Molecular Formula: C29H25F3N4O3
• Molecular Weight: 534.54 g/mol
• Exact Mass: 534.19
• IUPAC Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• SMILES: Cc1c2c(nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)COC2
• InChI: InChI=1S/C29H25F3N4O3/c1-16-25-14-39-15-27(25)35-36(16)13-22(37)10-19(7-17-8-20(30)12-21(31)9-17)28-23(3-2-6-34-28)18-4-5-26(32)24(11-18)29(33)38/h2-6,8-9,11-12,19H,7,10,13-15H2,1H3,(H2,33,38)/t19-/m1/s1
• InChIKey: KZNOPCGKFOKOPX-LJQANCHMSA-N
• XLogP: 4.79
• TPSA: 100.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.54
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 157233634) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is Cc1c2c(nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)COC2.

What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The InChIKey is KZNOPCGKFOKOPX-LJQANCHMSA-N. The full InChI is InChI=1S/C29H25F3N4O3/c1-16-25-14-39-15-27(25)35-36(16)13-22(37)10-19(7-17-8-20(30)12-21(31)9-17)28-23(3-2-6-34-28)18-4-5-26(32)24(11-18)29(33)38/h2-6,8-9,11-12,19H,7,10,13-15H2,1H3,(H2,33,38)/t19-/m1/s1.

What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 534.54 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-4,6-dihydrofuro[3,4-c]pyrazol-2-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 157233634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).