N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide

C32H35F2N7O4S — CID 58524113

About N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide

N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 58524113) has the molecular formula C32H35F2N7O4S and a molecular weight of 651.74 g/mol. Its IUPAC name is N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
• PubChem CID: 58524113
• Molecular Formula: C32H35F2N7O4S
• Molecular Weight: 651.74 g/mol
• Exact Mass: 651.24
• IUPAC Name: N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
• SMILES: CN1CCN(c2ccc(C(=O)Cc3[nH]nc4c3CN(S(=O)(=O)c3cc(F)cc(F)c3)C4(C)C)c(NC(=O)c3cccn3C)c2)CC1
• InChI: InChI=1S/C32H35F2N7O4S/c1-32(2)30-25(19-41(32)46(44,45)23-15-20(33)14-21(34)16-23)27(36-37-30)18-29(42)24-8-7-22(40-12-10-38(3)11-13-40)17-26(24)35-31(43)28-6-5-9-39(28)4/h5-9,14-17H,10-13,18-19H2,1-4H3,(H,35,43)(H,36,37)
• InChIKey: WIZAQDBWTTUBKQ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 123.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	651.74
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide?

The IUPAC name of N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide (CID 58524113) is N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide.

What is the SMILES notation for N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide?

The canonical SMILES for N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide is CN1CCN(c2ccc(C(=O)Cc3[nH]nc4c3CN(S(=O)(=O)c3cc(F)cc(F)c3)C4(C)C)c(NC(=O)c3cccn3C)c2)CC1.

What is the InChIKey of N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide?

The InChIKey is WIZAQDBWTTUBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N7O4S/c1-32(2)30-25(19-41(32)46(44,45)23-15-20(33)14-21(34)16-23)27(36-37-30)18-29(42)24-8-7-22(40-12-10-38(3)11-13-40)17-26(24)35-31(43)28-6-5-9-39(28)4/h5-9,14-17H,10-13,18-19H2,1-4H3,(H,35,43)(H,36,37).

What are the key properties of N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide?

N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 651.74 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]acetyl]-5-(4-methylpiperazin-1-yl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 58524113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).