2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C108H107N37O6 — CID 158186418

About 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158186418) has the molecular formula C108H107N37O6 and a molecular weight of 2019.30 g/mol. Its IUPAC name is 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158186418
• Molecular Formula: C108H107N37O6
• Molecular Weight: 2019.30 g/mol
• Exact Mass: 2017.92
• IUPAC Name: 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: NC(=O)CC1(N)CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.NC(=O)CC1(O)CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.Nc1cc(N2CCC(c3cnc[nH]3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CCCC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C23H22N8.C22H20N8O2.C22H24N8O.C22H23N7O2.C19H18N6O/c24-21-10-22(30-7-5-15(6-8-30)20-13-25-14-27-20)29-23-18(12-28-31(21)23)17-9-16-3-1-2-4-19(16)26-11-17;23-17-9-18(29-7-3-6-22(12-29)20(31)27-21(32)28-22)26-19-15(11-25-30(17)19)14-8-13-4-1-2-5-16(13)24-10-14;23-18-10-20(29-7-5-22(25,6-8-29)11-19(24)31)28-21-16(13-27-30(18)21)15-9-14-3-1-2-4-17(14)26-12-15;23-18-10-20(28-7-5-22(31,6-8-28)11-19(24)30)27-21-16(13-26-29(18)21)15-9-14-3-1-2-4-17(14)25-12-15;20-17-10-18(24-5-7-26-8-6-24)23-19-15(12-22-25(17)19)14-9-13-3-1-2-4-16(13)21-11-14/h1-4,9-15H,5-8,24H2,(H,25,27);1-2,4-5,8-11H,3,6-7,12,23H2,(H2,27,28,31,32);1-4,9-10,12-13H,5-8,11,23,25H2,(H2,24,31);1-4,9-10,12-13,31H,5-8,11,23H2,(H2,24,30);1-4,9-12H,5-8,20H2
• InChIKey: FZERDVPINUAKOO-UHFFFAOYSA-N
• XLogP: 11.14
• TPSA: 590.24 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 15
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2019.30
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158186418) is 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is NC(=O)CC1(N)CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.NC(=O)CC1(O)CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.Nc1cc(N2CCC(c3cnc[nH]3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CCCC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FZERDVPINUAKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8.C22H20N8O2.C22H24N8O.C22H23N7O2.C19H18N6O/c24-21-10-22(30-7-5-15(6-8-30)20-13-25-14-27-20)29-23-18(12-28-31(21)23)17-9-16-3-1-2-4-19(16)26-11-17;23-17-9-18(29-7-3-6-22(12-29)20(31)27-21(32)28-22)26-19-15(11-25-30(17)19)14-8-13-4-1-2-5-16(13)24-10-14;23-18-10-20(29-7-5-22(25,6-8-29)11-19(24)31)28-21-16(13-27-30(18)21)15-9-14-3-1-2-4-17(14)26-12-15;23-18-10-20(28-7-5-22(31,6-8-28)11-19(24)30)27-21-16(13-26-29(18)21)15-9-14-3-1-2-4-17(14)25-12-15;20-17-10-18(24-5-7-26-8-6-24)23-19-15(12-22-25(17)19)14-9-13-3-1-2-4-16(13)21-11-14/h1-4,9-15H,5-8,24H2,(H,25,27);1-2,4-5,8-11H,3,6-7,12,23H2,(H2,27,28,31,32);1-4,9-10,12-13H,5-8,11,23,25H2,(H2,24,31);1-4,9-10,12-13,31H,5-8,11,23H2,(H2,24,30);1-4,9-12H,5-8,20H2.

What are the key properties of 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2019.30 g/mol, XLogP of 11.14, 15 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158186418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).