3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one

C44H47ClF6N12O2 — CID 158432553

About 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one

3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 158432553) has the molecular formula C44H47ClF6N12O2 and a molecular weight of 925.38 g/mol. Its IUPAC name is 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one
• PubChem CID: 158432553
• Molecular Formula: C44H47ClF6N12O2
• Molecular Weight: 925.38 g/mol
• Exact Mass: 924.35
• IUPAC Name: 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one
• SMILES: CN1CCC(N)C1=O.Cc1cc(C)n(-c2cc(Cl)cc(Nc3cccc(C(F)(F)F)c3)n2)n1.Cc1cc(C)n(-c2cc(NC3CCN(C)C3=O)cc(Nc3cccc(C(F)(F)F)c3)n2)n1
• InChI: InChI=1S/C22H23F3N6O.C17H14ClF3N4.C5H10N2O/c1-13-9-14(2)31(29-13)20-12-17(26-18-7-8-30(3)21(18)32)11-19(28-20)27-16-6-4-5-15(10-16)22(23,24)25;1-10-6-11(2)25(24-10)16-9-13(18)8-15(23-16)22-14-5-3-4-12(7-14)17(19,20)21;1-7-3-2-4(6)5(7)8/h4-6,9-12,18H,7-8H2,1-3H3,(H2,26,27,28);3-9H,1-2H3,(H,22,23);4H,2-3,6H2,1H3
• InChIKey: HBVHXYILXTYYKT-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 164.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.38
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one?

The IUPAC name of 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one (CID 158432553) is 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one.

What is the SMILES notation for 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one?

The canonical SMILES for 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one is CN1CCC(N)C1=O.Cc1cc(C)n(-c2cc(Cl)cc(Nc3cccc(C(F)(F)F)c3)n2)n1.Cc1cc(C)n(-c2cc(NC3CCN(C)C3=O)cc(Nc3cccc(C(F)(F)F)c3)n2)n1.

What is the InChIKey of 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one?

The InChIKey is HBVHXYILXTYYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O.C17H14ClF3N4.C5H10N2O/c1-13-9-14(2)31(29-13)20-12-17(26-18-7-8-30(3)21(18)32)11-19(28-20)27-16-6-4-5-15(10-16)22(23,24)25;1-10-6-11(2)25(24-10)16-9-13(18)8-15(23-16)22-14-5-3-4-12(7-14)17(19,20)21;1-7-3-2-4(6)5(7)8/h4-6,9-12,18H,7-8H2,1-3H3,(H2,26,27,28);3-9H,1-2H3,(H,22,23);4H,2-3,6H2,1H3.

What are the key properties of 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one?

3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 925.38 g/mol, XLogP of 8.76, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-methylpyrrolidin-2-one;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]-4-pyridinyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 158432553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).