(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

C111H117BrN26O15S — CID 157373025

About (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (PubChem CID 157373025) has the molecular formula C111H117BrN26O15S and a molecular weight of 2167.29 g/mol. Its IUPAC name is (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

Molecular Properties

• Compound Name: (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• PubChem CID: 157373025
• Molecular Formula: C111H117BrN26O15S
• Molecular Weight: 2167.29 g/mol
• Exact Mass: 2164.81
• IUPAC Name: (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• SMILES: C.CC(=O)c1c(C2CCN(C(=O)CS(C)(=O)=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1.COc1ccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1OC.Nc1c(C=O)c(C2CCN(C(=O)CC3NC(=O)NC3=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C28H26N8O4.C28H30N6O3.C27H29BrN6O4.C27H28N6O4S.CH4/c29-25-20(15-37)24(17-8-10-35(11-9-17)23(38)12-22-27(39)34-28(40)32-22)33-26-19(14-31-36(25)26)18-6-7-21(30-13-18)16-4-2-1-3-5-16;1-17(35)24-25(20-11-13-33(14-12-20)28(36)18(2)37-3)32-27-22(16-31-34(27)26(24)29)21-9-10-23(30-15-21)19-7-5-4-6-8-19;1-15(35)27(36)33-10-8-16(9-11-33)24-23(28)25(29)34-26(32-24)19(14-31-34)18-4-6-20(30-13-18)17-5-7-21(37-2)22(12-17)38-3;1-17(34)24-25(19-10-12-32(13-11-19)23(35)16-38(2,36)37)31-27-21(15-30-33(27)26(24)28)20-8-9-22(29-14-20)18-6-4-3-5-7-18;/h1-7,13-15,17,22H,8-12,29H2,(H2,32,34,39,40);4-10,15-16,18,20H,11-14,29H2,1-3H3;4-7,12-16,35H,8-11,29H2,1-3H3;3-9,14-15,19H,10-13,16,28H2,1-2H3;1H4/t;18-;15-;;/m.11../s1
• InChIKey: BJZKOGXEOZCIBB-TWAHSEMGSA-N
• XLogP: 13.68
• TPSA: 549.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2167.29
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (CID 157373025) is (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

What is the SMILES notation for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The canonical SMILES for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is C.CC(=O)c1c(C2CCN(C(=O)CS(C)(=O)=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1.COc1ccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1OC.Nc1c(C=O)c(C2CCN(C(=O)CC3NC(=O)NC3=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The InChIKey is BJZKOGXEOZCIBB-TWAHSEMGSA-N. The full InChI is InChI=1S/C28H26N8O4.C28H30N6O3.C27H29BrN6O4.C27H28N6O4S.CH4/c29-25-20(15-37)24(17-8-10-35(11-9-17)23(38)12-22-27(39)34-28(40)32-22)33-26-19(14-31-36(25)26)18-6-7-21(30-13-18)16-4-2-1-3-5-16;1-17(35)24-25(20-11-13-33(14-12-20)28(36)18(2)37-3)32-27-22(16-31-34(27)26(24)29)21-9-10-23(30-15-21)19-7-5-4-6-8-19;1-15(35)27(36)33-10-8-16(9-11-33)24-23(28)25(29)34-26(32-24)19(14-31-34)18-4-6-20(30-13-18)17-5-7-21(37-2)22(12-17)38-3;1-17(34)24-25(19-10-12-32(13-11-19)23(35)16-38(2,36)37)31-27-21(15-30-33(27)26(24)28)20-8-9-22(29-14-20)18-6-4-3-5-7-18;/h1-7,13-15,17,22H,8-12,29H2,(H2,32,34,39,40);4-10,15-16,18,20H,11-14,29H2,1-3H3;4-7,12-16,35H,8-11,29H2,1-3H3;3-9,14-15,19H,10-13,16,28H2,1-2H3;1H4/t;18-;15-;;/m.11../s1.

What are the key properties of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane has a molecular weight of 2167.29 g/mol, XLogP of 13.68, 24 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone;(2R)-1-[4-[7-amino-6-bromo-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-5-[1-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is sourced from PubChem (CID 157373025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).