N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide

C27H30F2N6O5S — CID 143485311

About N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 143485311) has the molecular formula C27H30F2N6O5S and a molecular weight of 588.64 g/mol. Its IUPAC name is N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide
• PubChem CID: 143485311
• Molecular Formula: C27H30F2N6O5S
• Molecular Weight: 588.64 g/mol
• Exact Mass: 588.20
• IUPAC Name: N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide
• SMILES: COc1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)C3(C)C)c(NC(=O)C2CCCN2C)c1
• InChI: InChI=1S/C27H30F2N6O5S/c1-27(2)23-20(14-35(27)41(38,39)18-11-15(28)10-16(29)12-18)24(33-32-23)31-25(36)19-8-7-17(40-4)13-21(19)30-26(37)22-6-5-9-34(22)3/h7-8,10-13,22H,5-6,9,14H2,1-4H3,(H,30,37)(H2,31,32,33,36)
• InChIKey: ARGDQPQFMBDGRZ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 136.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.64
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide?

The IUPAC name of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide (CID 143485311) is N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide.

What is the SMILES notation for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide?

The canonical SMILES for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide is COc1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)C3(C)C)c(NC(=O)C2CCCN2C)c1.

What is the InChIKey of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide?

The InChIKey is ARGDQPQFMBDGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N6O5S/c1-27(2)23-20(14-35(27)41(38,39)18-11-15(28)10-16(29)12-18)24(33-32-23)31-25(36)19-8-7-17(40-4)13-21(19)30-26(37)22-6-5-9-34(22)3/h7-8,10-13,22H,5-6,9,14H2,1-4H3,(H,30,37)(H2,31,32,33,36).

What are the key properties of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide?

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 588.64 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-methoxyphenyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143485311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).