3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C118H123N29O17S — CID 159241003

About 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 159241003) has the molecular formula C118H123N29O17S and a molecular weight of 2251.53 g/mol. Its IUPAC name is 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• PubChem CID: 159241003
• Molecular Formula: C118H123N29O17S
• Molecular Weight: 2251.53 g/mol
• Exact Mass: 2249.94
• IUPAC Name: 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• SMILES: C=S(C)(=O)c1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1C(C)O.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncc[nH]c6=O)CC5)nc34)cn2)cc1OC.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)cc1
• InChI: InChI=1S/C31H30N8O5.C30H34N6O5.C29H32N6O4S.C28H27N9O3/c1-17(40)25-26(18-8-12-38(13-9-18)31(42)27-30(41)34-11-10-33-27)37-29-21(16-36-39(29)28(25)32)20-4-6-22(35-15-20)19-5-7-23(43-2)24(14-19)44-3;1-16(37)22-13-20(6-8-25(22)41-4)24-7-5-21(14-32-24)23-15-33-36-28(31)26(17(2)38)27(34-29(23)36)19-9-11-35(12-10-19)30(40)18(3)39;1-17(36)25-26(20-11-13-34(14-12-20)29(38)18(2)37)33-28-23(16-32-35(28)27(25)30)21-7-10-24(31-15-21)19-5-8-22(9-6-19)40(3,4)39;1-16(38)23-24(18-9-11-36(12-10-18)28(39)26-31-15-32-35-26)34-27-21(14-33-37(27)25(23)29)19-5-8-22(30-13-19)17-3-6-20(40-2)7-4-17/h4-7,10-11,14-16,18H,8-9,12-13,32H2,1-3H3,(H,34,41);5-8,13-16,18-19,37,39H,9-12,31H2,1-4H3;5-10,15-16,18,20,37H,3,11-14,30H2,1-2,4H3;3-8,13-15,18H,9-12,29H2,1-2H3,(H,31,32,35)/t;16?,18-;18-,40?;/m.11./s1
• InChIKey: KUCCXOXHOCCOJE-DAIVOKAXSA-N
• XLogP: 13.18
• TPSA: 627.92 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2251.53
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The IUPAC name of 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 159241003) is 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The canonical SMILES for 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is C=S(C)(=O)c1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1C(C)O.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncc[nH]c6=O)CC5)nc34)cn2)cc1OC.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)cc1.

What is the InChIKey of 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The InChIKey is KUCCXOXHOCCOJE-DAIVOKAXSA-N. The full InChI is InChI=1S/C31H30N8O5.C30H34N6O5.C29H32N6O4S.C28H27N9O3/c1-17(40)25-26(18-8-12-38(13-9-18)31(42)27-30(41)34-11-10-33-27)37-29-21(16-36-39(29)28(25)32)20-4-6-22(35-15-20)19-5-7-23(43-2)24(14-19)44-3;1-16(37)22-13-20(6-8-25(22)41-4)24-7-5-21(14-32-24)23-15-33-36-28(31)26(17(2)38)27(34-29(23)36)19-9-11-35(12-10-19)30(40)18(3)39;1-17(36)25-26(20-11-13-34(14-12-20)29(38)18(2)37)33-28-23(16-32-35(28)27(25)30)21-7-10-24(31-15-21)19-5-8-22(9-6-19)40(3,4)39;1-16(38)23-24(18-9-11-36(12-10-18)28(39)26-31-15-32-35-26)34-27-21(14-33-37(27)25(23)29)19-5-8-22(30-13-19)17-3-6-20(40-2)7-4-17/h4-7,10-11,14-16,18H,8-9,12-13,32H2,1-3H3,(H,34,41);5-8,13-16,18-19,37,39H,9-12,31H2,1-4H3;5-10,15-16,18,20,37H,3,11-14,30H2,1-2,4H3;3-8,13-15,18H,9-12,29H2,1-2H3,(H,31,32,35)/t;16?,18-;18-,40?;/m.11./s1.

What are the key properties of 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 2251.53 g/mol, XLogP of 13.18, 26 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[3-(1-hydroxyethyl)-4-methoxyphenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 159241003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).