5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C99H92N30O8 — CID 158413334

About 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158413334) has the molecular formula C99H92N30O8 and a molecular weight of 1830.03 g/mol. Its IUPAC name is 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158413334
• Molecular Formula: C99H92N30O8
• Molecular Weight: 1830.03 g/mol
• Exact Mass: 1828.77
• IUPAC Name: 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: COc1ccc(-c2cnn3c(N)cc(-c4cnc5ccccc5c4)nc23)cc1OC.Cn1ccc(-c2cnn3c(N)cc(-c4cnc5ccccc5c4)nc23)c1.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cc[nH]c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc4[nH]ncc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C23H19N5O2.C21H20N6O2.C20H16N6.C19H19N7O2.C16H18N6O2/c1-29-20-8-7-14(10-21(20)30-2)17-13-26-28-22(24)11-19(27-23(17)28)16-9-15-5-3-4-6-18(15)25-12-16;22-19-8-18(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;1-25-7-6-14(12-25)16-11-23-26-19(21)9-18(24-20(16)26)15-8-13-4-2-3-5-17(13)22-10-15;20-17-6-16(11-2-4-15(19(27)28)21-7-11)24-18-13(9-23-26(17)18)10-1-3-14-12(5-10)8-22-25-14;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/h3-13H,24H2,1-2H3;1-4,7-8,10-11,13,17,24H,5-6,9,22H2,(H,28,29);2-12H,21H2,1H3;1,3,5-6,8-9,11,15,21H,2,4,7,20H2,(H,22,25)(H,27,28);3-6,8,10,12,18-19H,1-2,7,17H2,(H,23,24)
• InChIKey: GZORQFAEFOTYNS-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 535.57 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1830.03
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158413334) is 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(N)cc(-c4cnc5ccccc5c4)nc23)cc1OC.Cn1ccc(-c2cnn3c(N)cc(-c4cnc5ccccc5c4)nc23)c1.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cc[nH]c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc4[nH]ncc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is GZORQFAEFOTYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2.C21H20N6O2.C20H16N6.C19H19N7O2.C16H18N6O2/c1-29-20-8-7-14(10-21(20)30-2)17-13-26-28-22(24)11-19(27-23(17)28)16-9-15-5-3-4-6-18(15)25-12-16;22-19-8-18(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;1-25-7-6-14(12-25)16-11-23-26-19(21)9-18(24-20(16)26)15-8-13-4-2-3-5-17(13)22-10-15;20-17-6-16(11-2-4-15(19(27)28)21-7-11)24-18-13(9-23-26(17)18)10-1-3-14-12(5-10)8-22-25-14;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/h3-13H,24H2,1-2H3;1-4,7-8,10-11,13,17,24H,5-6,9,22H2,(H,28,29);2-12H,21H2,1H3;1,3,5-6,8-9,11,15,21H,2,4,7,20H2,(H,22,25)(H,27,28);3-6,8,10,12,18-19H,1-2,7,17H2,(H,23,24).

What are the key properties of 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1830.03 g/mol, XLogP of 13.19, 15 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-amino-3-(1H-indazol-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;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158413334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).