(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one

C117H132N24O14S — CID 158348723

About (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one

(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one (PubChem CID 158348723) has the molecular formula C117H132N24O14S and a molecular weight of 2130.56 g/mol. Its IUPAC name is (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one
• PubChem CID: 158348723
• Molecular Formula: C117H132N24O14S
• Molecular Weight: 2130.56 g/mol
• Exact Mass: 2129.01
• IUPAC Name: (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one
• SMILES: CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-c4ccsc4)nc3)cnn2c1N.CCc1cc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)ccc1OC.CCc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)OC)CC5)nc34)cn2)cc1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)OC)CC5)nc34)cn2)c1
• InChI: InChI=1S/C30H34N6O4.2C30H34N6O3.C27H30N6O4S/c1-5-19-14-21(7-9-25(19)40-4)24-8-6-22(15-32-24)23-16-33-36-28(31)26(17(2)37)27(34-29(23)36)20-10-12-35(13-11-20)30(39)18(3)38;1-5-20-6-8-21(9-7-20)25-11-10-23(16-32-25)24-17-33-36-28(31)26(18(2)37)27(34-29(24)36)22-12-14-35(15-13-22)30(38)19(3)39-4;1-5-20-7-6-8-22(15-20)25-10-9-23(16-32-25)24-17-33-36-28(31)26(18(2)37)27(34-29(24)36)21-11-13-35(14-12-21)30(38)19(3)39-4;1-16(36)22-23(17-5-8-32(9-6-17)26(37)27(2,14-34)15-35)31-25-20(12-30-33(25)24(22)28)18-3-4-21(29-11-18)19-7-10-38-13-19/h6-9,14-16,18,20,38H,5,10-13,31H2,1-4H3;6-11,16-17,19,22H,5,12-15,31H2,1-4H3;6-10,15-17,19,21H,5,11-14,31H2,1-4H3;3-4,7,10-13,17,34-35H,5-6,8-9,14-15,28H2,1-2H3/t18-;2*19-;/m111./s1
• InChIKey: GSBAISMNZJFADN-NZRJVOCSSA-N
• XLogP: 16.00
• TPSA: 514.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2130.56
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one?

The IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one (CID 158348723) is (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one.

What is the SMILES notation for (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one?

The canonical SMILES for (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one is CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-c4ccsc4)nc3)cnn2c1N.CCc1cc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)ccc1OC.CCc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)OC)CC5)nc34)cn2)cc1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)OC)CC5)nc34)cn2)c1.

What is the InChIKey of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one?

The InChIKey is GSBAISMNZJFADN-NZRJVOCSSA-N. The full InChI is InChI=1S/C30H34N6O4.2C30H34N6O3.C27H30N6O4S/c1-5-19-14-21(7-9-25(19)40-4)24-8-6-22(15-32-24)23-16-33-36-28(31)26(17(2)37)27(34-29(23)36)20-10-12-35(13-11-20)30(39)18(3)38;1-5-20-6-8-21(9-7-20)25-11-10-23(16-32-25)24-17-33-36-28(31)26(18(2)37)27(34-29(24)36)22-12-14-35(15-13-22)30(38)19(3)39-4;1-5-20-7-6-8-22(15-20)25-10-9-23(16-32-25)24-17-33-36-28(31)26(18(2)37)27(34-29(24)36)21-11-13-35(14-12-21)30(38)19(3)39-4;1-16(36)22-23(17-5-8-32(9-6-17)26(37)27(2,14-34)15-35)31-25-20(12-30-33(25)24(22)28)18-3-4-21(29-11-18)19-7-10-38-13-19/h6-9,14-16,18,20,38H,5,10-13,31H2,1-4H3;6-11,16-17,19,22H,5,12-15,31H2,1-4H3;6-10,15-17,19,21H,5,11-14,31H2,1-4H3;3-4,7,10-13,17,34-35H,5-6,8-9,14-15,28H2,1-2H3/t18-;2*19-;/m111./s1.

What are the key properties of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one?

(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one has a molecular weight of 2130.56 g/mol, XLogP of 16.00, 28 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-(3-ethyl-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-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one is sourced from PubChem (CID 158348723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).