N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one

C88H93F14N33O12S4 — CID 159478746

About N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one

N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one (PubChem CID 159478746) has the molecular formula C88H93F14N33O12S4 and a molecular weight of 2199.17 g/mol. Its IUPAC name is N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one.

Molecular Properties

• Compound Name: N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one
• PubChem CID: 159478746
• Molecular Formula: C88H93F14N33O12S4
• Molecular Weight: 2199.17 g/mol
• Exact Mass: 2197.63
• IUPAC Name: N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one
• SMILES: CC1CN(c2cc(-c3cnn4ccc(C(F)F)nc34)ccn2)CC(CNS(C)(=O)=O)C1(F)F.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnn4ccc(C(F)F)nc34)ccn2)CCO1.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnn4ccc(C(F)F)nc34)ncn2)CCO1.CS(=O)(=O)NC[C@H]1CN(c2cc(-c3cnn4cc(F)c(C(F)F)nc34)ncn2)CCO1.O=C1CCN(c2cc(-c3cnn4ccc(C(F)(F)F)nc34)ncn2)CCN1
• InChI: InChI=1S/C20H22F4N6O2S.C18H20F2N6O3S.C17H18F3N7O3S.C17H19F2N7O3S.C16H14F3N7O/c1-12-10-29(11-14(20(12,23)24)8-27-33(2,31)32)17-7-13(3-5-25-17)15-9-26-30-6-4-16(18(21)22)28-19(15)30;1-30(27,28)23-9-13-11-25(6-7-29-13)16-8-12(2-4-21-16)14-10-22-26-5-3-15(17(19)20)24-18(14)26;1-31(28,29)24-5-10-7-26(2-3-30-10)14-4-13(21-9-22-14)11-6-23-27-8-12(18)15(16(19)20)25-17(11)27;1-30(27,28)23-7-11-9-25(4-5-29-11)15-6-14(20-10-21-15)12-8-22-26-3-2-13(16(18)19)24-17(12)26;17-16(18,19)12-1-5-26-15(24-12)10(8-23-26)11-7-13(22-9-21-11)25-4-2-14(27)20-3-6-25/h3-7,9,12,14,18,27H,8,10-11H2,1-2H3;2-5,8,10,13,17,23H,6-7,9,11H2,1H3;4,6,8-10,16,24H,2-3,5,7H2,1H3;2-3,6,8,10-11,16,23H,4-5,7,9H2,1H3;1,5,7-9H,2-4,6H2,(H,20,27)/t;13-;10-;11-;/m.101./s1
• InChIKey: LWSMZXICZDNQSF-ZVWCOUMTSA-N
• XLogP: 7.90
• TPSA: 511.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2199.17
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one?

The IUPAC name of N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one (CID 159478746) is N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one.

What is the SMILES notation for N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one?

The canonical SMILES for N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one is CC1CN(c2cc(-c3cnn4ccc(C(F)F)nc34)ccn2)CC(CNS(C)(=O)=O)C1(F)F.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnn4ccc(C(F)F)nc34)ccn2)CCO1.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnn4ccc(C(F)F)nc34)ncn2)CCO1.CS(=O)(=O)NC[C@H]1CN(c2cc(-c3cnn4cc(F)c(C(F)F)nc34)ncn2)CCO1.O=C1CCN(c2cc(-c3cnn4ccc(C(F)(F)F)nc34)ncn2)CCN1.

What is the InChIKey of N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one?

The InChIKey is LWSMZXICZDNQSF-ZVWCOUMTSA-N. The full InChI is InChI=1S/C20H22F4N6O2S.C18H20F2N6O3S.C17H18F3N7O3S.C17H19F2N7O3S.C16H14F3N7O/c1-12-10-29(11-14(20(12,23)24)8-27-33(2,31)32)17-7-13(3-5-25-17)15-9-26-30-6-4-16(18(21)22)28-19(15)30;1-30(27,28)23-9-13-11-25(6-7-29-13)16-8-12(2-4-21-16)14-10-22-26-5-3-15(17(19)20)24-18(14)26;1-31(28,29)24-5-10-7-26(2-3-30-10)14-4-13(21-9-22-14)11-6-23-27-8-12(18)15(16(19)20)25-17(11)27;1-30(27,28)23-7-11-9-25(4-5-29-11)15-6-14(20-10-21-15)12-8-22-26-3-2-13(16(18)19)24-17(12)26;17-16(18,19)12-1-5-26-15(24-12)10(8-23-26)11-7-13(22-9-21-11)25-4-2-14(27)20-3-6-25/h3-7,9,12,14,18,27H,8,10-11H2,1-2H3;2-5,8,10,13,17,23H,6-7,9,11H2,1H3;4,6,8-10,16,24H,2-3,5,7H2,1H3;2-3,6,8,10-11,16,23H,4-5,7,9H2,1H3;1,5,7-9H,2-4,6H2,(H,20,27)/t;13-;10-;11-;/m.101./s1.

What are the key properties of N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one?

N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one has a molecular weight of 2199.17 g/mol, XLogP of 7.90, 26 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-4-[6-[5-(difluoromethyl)-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[1-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[4-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[6-[5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one is sourced from PubChem (CID 159478746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).