[(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one

C85H118N28O6 — CID 158344475

About [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one

[(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one (PubChem CID 158344475) has the molecular formula C85H118N28O6 and a molecular weight of 1628.07 g/mol. Its IUPAC name is [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one
• PubChem CID: 158344475
• Molecular Formula: C85H118N28O6
• Molecular Weight: 1628.07 g/mol
• Exact Mass: 1626.98
• IUPAC Name: [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one
• SMILES: CCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(N[C@H]3CCCC[C@H]3CO)nc12.CCc1cnn2c(NCc3ccn(CC)c(=O)c3)cc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(NCc3cnc(N)nc3)cc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(NCc3cnc(N)nc3)cc(N[C@H]3CCCC[C@H]3CO)nc12
• InChI: InChI=1S/C23H32N6O2.C22H30N6O2.2C20H28N8O/c1-3-18-16-25-29-20(24-15-17-8-11-27(4-2)22(31)13-17)14-21(26-23(18)29)28-10-6-5-7-19(28)9-12-30;1-3-16-12-24-28-20(23-11-15-8-9-21(30)27(2)13-15)10-19(26-22(16)28)25-18-7-5-4-6-17(18)14-29;1-2-15-13-25-28-17(22-10-14-11-23-20(21)24-12-14)9-18(26-19(15)28)27-7-4-3-5-16(27)6-8-29;1-2-14-11-25-28-18(22-8-13-9-23-20(21)24-10-13)7-17(27-19(14)28)26-16-6-4-3-5-15(16)12-29/h8,11,13-14,16,19,24,30H,3-7,9-10,12,15H2,1-2H3;8-10,12-13,17-18,23,29H,3-7,11,14H2,1-2H3,(H,25,26);9,11-13,16,22,29H,2-8,10H2,1H3,(H2,21,23,24);7,9-11,15-16,22,29H,2-6,8,12H2,1H3,(H,26,27)(H2,21,23,24)/t19-;17-,18-;16-;15-,16-/m0000/s1
• InChIKey: GROGGCVXOINNIU-UKFCVTPWSA-N
• XLogP: 9.65
• TPSA: 427.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1628.07
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?

The IUPAC name of [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one (CID 158344475) is [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one.

What is the SMILES notation for [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?

The canonical SMILES for [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one is CCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(N[C@H]3CCCC[C@H]3CO)nc12.CCc1cnn2c(NCc3ccn(CC)c(=O)c3)cc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(NCc3cnc(N)nc3)cc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(NCc3cnc(N)nc3)cc(N[C@H]3CCCC[C@H]3CO)nc12.

What is the InChIKey of [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?

The InChIKey is GROGGCVXOINNIU-UKFCVTPWSA-N. The full InChI is InChI=1S/C23H32N6O2.C22H30N6O2.2C20H28N8O/c1-3-18-16-25-29-20(24-15-17-8-11-27(4-2)22(31)13-17)14-21(26-23(18)29)28-10-6-5-7-19(28)9-12-30;1-3-16-12-24-28-20(23-11-15-8-9-21(30)27(2)13-15)10-19(26-22(16)28)25-18-7-5-4-6-17(18)14-29;1-2-15-13-25-28-17(22-10-14-11-23-20(21)24-12-14)9-18(26-19(15)28)27-7-4-3-5-16(27)6-8-29;1-2-14-11-25-28-18(22-8-13-9-23-20(21)24-10-13)7-17(27-19(14)28)26-16-6-4-3-5-15(16)12-29/h8,11,13-14,16,19,24,30H,3-7,9-10,12,15H2,1-2H3;8-10,12-13,17-18,23,29H,3-7,11,14H2,1-2H3,(H,25,26);9,11-13,16,22,29H,2-8,10H2,1H3,(H2,21,23,24);7,9-11,15-16,22,29H,2-6,8,12H2,1H3,(H,26,27)(H2,21,23,24)/t19-;17-,18-;16-;15-,16-/m0000/s1.

What are the key properties of [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?

[(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one has a molecular weight of 1628.07 g/mol, XLogP of 9.65, 29 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S)-2-[[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[(2S)-1-[7-[(2-aminopyrimidin-5-yl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-ethyl-4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 158344475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).