3-amino-1-methylpyrrolidin-2-one;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3S)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one

C84H113ClF8N24O4 — CID 158893334

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

3-amino-1-methylpyrrolidin-2-one;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3S)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 158893334) has the molecular formula C84H113ClF8N24O4 and a molecular weight of 1710.43 g/mol. Its IUPAC name is 3-amino-1-methylpyrrolidin-2-one;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3S)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-amino-1-methylpyrrolidin-2-one;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3S)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one
• PubChem CID: 158893334
• Molecular Formula: C84H113ClF8N24O4
• Molecular Weight: 1710.43 g/mol
• Exact Mass: 1708.89
• IUPAC Name: 3-amino-1-methylpyrrolidin-2-one;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3S)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one
• SMILES: CN1CCC(N)C1=O.Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NC3CCN(C)C3=O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(N[C@@H]3CCN(C)C3=O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(N[C@H]3CCN(C)C3=O)cc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/3C21H28F2N6O.C16H19ClF2N4.C5H10N2O/c3*1-13-10-14(2)29(27-13)19-12-16(24-17-6-9-28(3)20(17)30)11-18(26-19)25-15-4-7-21(22,23)8-5-15;1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;1-7-3-2-4(6)5(7)8/h3*10-12,15,17H,4-9H2,1-3H3,(H2,24,25,26);7-9,13H,3-6H2,1-2H3,(H,20,21);4H,2-3,6H2,1H3/t2*17-;;;/m10.../s1
• InChIKey: JENAFIYPSXRDIR-POMOXLBYSA-N
• XLogP: 14.25
• TPSA: 314.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1710.43
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 3-amino-1-methylpyrrolidin-2-one;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3S)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one (CID 158893334) is 3-amino-1-methylpyrrolidin-2-one;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3S)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one.

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

The canonical SMILES for 3-amino-1-methylpyrrolidin-2-one;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3S)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one is CN1CCC(N)C1=O.Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NC3CCN(C)C3=O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(N[C@@H]3CCN(C)C3=O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(N[C@H]3CCN(C)C3=O)cc(NC3CCC(F)(F)CC3)n2)n1.

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

The InChIKey is JENAFIYPSXRDIR-POMOXLBYSA-N. The full InChI is InChI=1S/3C21H28F2N6O.C16H19ClF2N4.C5H10N2O/c3*1-13-10-14(2)29(27-13)19-12-16(24-17-6-9-28(3)20(17)30)11-18(26-19)25-15-4-7-21(22,23)8-5-15;1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;1-7-3-2-4(6)5(7)8/h3*10-12,15,17H,4-9H2,1-3H3,(H2,24,25,26);7-9,13H,3-6H2,1-2H3,(H,20,21);4H,2-3,6H2,1H3/t2*17-;;;/m10.../s1.

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

3-amino-1-methylpyrrolidin-2-one;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3S)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 1710.43 g/mol, XLogP of 14.25, 18 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-methylpyrrolidin-2-one;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3R)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one;(3S)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 158893334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).