(3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone

C35H37F5N6O2 — CID 68575878

About (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone

(3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone (PubChem CID 68575878) has the molecular formula C35H37F5N6O2 and a molecular weight of 668.71 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone
• PubChem CID: 68575878
• Molecular Formula: C35H37F5N6O2
• Molecular Weight: 668.71 g/mol
• Exact Mass: 668.29
• IUPAC Name: (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone
• SMILES: Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1C(=O)N1CC2=CN(CCC3(c4ccccc4)CCN(C(=O)C4CC(F)(F)C4)C3)CC2C1
• InChI: InChI=1S/C35H37F5N6O2/c1-22-30(23(2)46(42-22)29-9-8-28(16-41-29)35(38,39)40)32(48)45-19-25-17-43(18-26(25)20-45)12-10-33(27-6-4-3-5-7-27)11-13-44(21-33)31(47)24-14-34(36,37)15-24/h3-9,16-17,24,26H,10-15,18-21H2,1-2H3
• InChIKey: BGGLKBYVNHCDII-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 74.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.71
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone?

The IUPAC name of (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone (CID 68575878) is (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone.

What is the SMILES notation for (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone?

The canonical SMILES for (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone is Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1C(=O)N1CC2=CN(CCC3(c4ccccc4)CCN(C(=O)C4CC(F)(F)C4)C3)CC2C1.

What is the InChIKey of (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone?

The InChIKey is BGGLKBYVNHCDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37F5N6O2/c1-22-30(23(2)46(42-22)29-9-8-28(16-41-29)35(38,39)40)32(48)45-19-25-17-43(18-26(25)20-45)12-10-33(27-6-4-3-5-7-27)11-13-44(21-33)31(47)24-14-34(36,37)15-24/h3-9,16-17,24,26H,10-15,18-21H2,1-2H3.

What are the key properties of (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone?

(3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone has a molecular weight of 668.71 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-difluorocyclobutyl)-[3-[2-[2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-3-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 68575878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).