N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide

C33H34F2N6O2 — CID 147024804

About N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide

N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide (PubChem CID 147024804) has the molecular formula C33H34F2N6O2 and a molecular weight of 584.67 g/mol. Its IUPAC name is N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
• PubChem CID: 147024804
• Molecular Formula: C33H34F2N6O2
• Molecular Weight: 584.67 g/mol
• Exact Mass: 584.27
• IUPAC Name: N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
• SMILES: CCc1ccc(CN2C[C@@H](NC(=O)Cc3c(C)c(-c4cnn(C)c4)nn3-c3ccccc3)[C@H](c3ccc(F)c(F)c3)C2)o1
• InChI: InChI=1S/C33H34F2N6O2/c1-4-25-11-12-26(43-25)18-40-19-27(22-10-13-28(34)29(35)14-22)30(20-40)37-32(42)15-31-21(2)33(23-16-36-39(3)17-23)38-41(31)24-8-6-5-7-9-24/h5-14,16-17,27,30H,4,15,18-20H2,1-3H3,(H,37,42)/t27-,30+/m0/s1
• InChIKey: AWKUYLVCXOOBKP-BHBYDHKZSA-N
• XLogP: 5.34
• TPSA: 81.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.67
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

The IUPAC name of N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide (CID 147024804) is N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide.

What is the SMILES notation for N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

The canonical SMILES for N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide is CCc1ccc(CN2C[C@@H](NC(=O)Cc3c(C)c(-c4cnn(C)c4)nn3-c3ccccc3)[C@H](c3ccc(F)c(F)c3)C2)o1.

What is the InChIKey of N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

The InChIKey is AWKUYLVCXOOBKP-BHBYDHKZSA-N. The full InChI is InChI=1S/C33H34F2N6O2/c1-4-25-11-12-26(43-25)18-40-19-27(22-10-13-28(34)29(35)14-22)30(20-40)37-32(42)15-31-21(2)33(23-16-36-39(3)17-23)38-41(31)24-8-6-5-7-9-24/h5-14,16-17,27,30H,4,15,18-20H2,1-3H3,(H,37,42)/t27-,30+/m0/s1.

What are the key properties of N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide has a molecular weight of 584.67 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 147024804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).