5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid

C96H102N28O14 — CID 161270767

About 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid

5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid (PubChem CID 161270767) has the molecular formula C96H102N28O14 and a molecular weight of 1872.05 g/mol. Its IUPAC name is 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
• PubChem CID: 161270767
• Molecular Formula: C96H102N28O14
• Molecular Weight: 1872.05 g/mol
• Exact Mass: 1870.81
• IUPAC Name: 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
• SMILES: COc1cc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)ccc1O.COc1ccc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)cc1OC.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cc[nH]c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc4[nH]ccc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C21H20N6O2.C20H20N6O2.C20H23N5O4.C19H21N5O4.C16H18N6O2/c22-19-8-18(13-5-6-17(21(28)29)24-9-13)26-20-15(11-25-27(19)20)14-7-12-3-1-2-4-16(12)23-10-14;21-18-8-17(13-2-4-16(20(27)28)23-9-13)25-19-14(10-24-26(18)19)11-1-3-15-12(7-11)5-6-22-15;1-28-16-6-4-11(7-17(16)29-2)13-10-23-25-18(21)8-15(24-19(13)25)12-3-5-14(20(26)27)22-9-12;1-28-16-6-10(3-5-15(16)25)12-9-22-24-17(20)7-14(23-18(12)24)11-2-4-13(19(26)27)21-8-11;17-14-5-13(10-1-2-12(16(23)24)19-7-10)21-15-11(8-20-22(14)15)9-3-4-18-6-9/h1-4,7-8,10-11,13,17,24H,5-6,9,22H2,(H,28,29);1,3,5-8,10,13,16,22-23H,2,4,9,21H2,(H,27,28);4,6-8,10,12,14,22H,3,5,9,21H2,1-2H3,(H,26,27);3,5-7,9,11,13,21,25H,2,4,8,20H2,1H3,(H,26,27);3-6,8,10,12,18-19H,1-2,7,17H2,(H,23,24)
• InChIKey: VDTZWSHZDCPJKM-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 620.09 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1872.05
LogP ≤ 5	9.58
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?

The IUPAC name of 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid (CID 161270767) is 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid.

What is the SMILES notation for 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?

The canonical SMILES for 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid is COc1cc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)ccc1O.COc1ccc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)cc1OC.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cc[nH]c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc4[nH]ccc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?

The InChIKey is VDTZWSHZDCPJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2.C20H20N6O2.C20H23N5O4.C19H21N5O4.C16H18N6O2/c22-19-8-18(13-5-6-17(21(28)29)24-9-13)26-20-15(11-25-27(19)20)14-7-12-3-1-2-4-16(12)23-10-14;21-18-8-17(13-2-4-16(20(27)28)23-9-13)25-19-14(10-24-26(18)19)11-1-3-15-12(7-11)5-6-22-15;1-28-16-6-4-11(7-17(16)29-2)13-10-23-25-18(21)8-15(24-19(13)25)12-3-5-14(20(26)27)22-9-12;1-28-16-6-10(3-5-15(16)25)12-9-22-24-17(20)7-14(23-18(12)24)11-2-4-13(19(26)27)21-8-11;17-14-5-13(10-1-2-12(16(23)24)19-7-10)21-15-11(8-20-22(14)15)9-3-4-18-6-9/h1-4,7-8,10-11,13,17,24H,5-6,9,22H2,(H,28,29);1,3,5-8,10,13,16,22-23H,2,4,9,21H2,(H,27,28);4,6-8,10,12,14,22H,3,5,9,21H2,1-2H3,(H,26,27);3,5-7,9,11,13,21,25H,2,4,8,20H2,1H3,(H,26,27);3-6,8,10,12,18-19H,1-2,7,17H2,(H,23,24).

What are the key properties of 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?

5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid has a molecular weight of 1872.05 g/mol, XLogP of 9.58, 18 rotatable bonds, 18 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 161270767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).