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

C30H31F2N7O5S — CID 16665523

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

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-morpholin-4-ylphenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 16665523) has the molecular formula C30H31F2N7O5S and a molecular weight of 639.69 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-morpholin-4-ylphenyl]-1-methylpyrrole-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-morpholin-4-ylphenyl]-1-methylpyrrole-2-carboxamide
• PubChem CID: 16665523
• Molecular Formula: C30H31F2N7O5S
• Molecular Weight: 639.69 g/mol
• Exact Mass: 639.21
• IUPAC Name: N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-morpholin-4-ylphenyl]-1-methylpyrrole-2-carboxamide
• SMILES: Cn1cccc1C(=O)Nc1cc(N2CCOCC2)ccc1C(=O)Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)C2(C)C
• InChI: InChI=1S/C30H31F2N7O5S/c1-30(2)26-23(17-39(30)45(42,43)21-14-18(31)13-19(32)15-21)27(36-35-26)34-28(40)22-7-6-20(38-9-11-44-12-10-38)16-24(22)33-29(41)25-5-4-8-37(25)3/h4-8,13-16H,9-12,17H2,1-3H3,(H,33,41)(H2,34,35,36,40)
• InChIKey: ARIIRLVCKAORHA-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 141.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	639.69
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-morpholin-4-ylphenyl]-1-methylpyrrole-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-morpholin-4-ylphenyl]-1-methylpyrrole-2-carboxamide (CID 16665523) is N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-morpholin-4-ylphenyl]-1-methylpyrrole-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-morpholin-4-ylphenyl]-1-methylpyrrole-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-morpholin-4-ylphenyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1cc(N2CCOCC2)ccc1C(=O)Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)C2(C)C.

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-morpholin-4-ylphenyl]-1-methylpyrrole-2-carboxamide?

The InChIKey is ARIIRLVCKAORHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N7O5S/c1-30(2)26-23(17-39(30)45(42,43)21-14-18(31)13-19(32)15-21)27(36-35-26)34-28(40)22-7-6-20(38-9-11-44-12-10-38)16-24(22)33-29(41)25-5-4-8-37(25)3/h4-8,13-16H,9-12,17H2,1-3H3,(H,33,41)(H2,34,35,36,40).

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-morpholin-4-ylphenyl]-1-methylpyrrole-2-carboxamide?

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]carbamoyl]-5-morpholin-4-ylphenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 639.69 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 8 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-morpholin-4-ylphenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 16665523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).