2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate

C114H114Br5N37O10S — CID 159651901

About 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate

2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate (PubChem CID 159651901) has the molecular formula C114H114Br5N37O10S and a molecular weight of 2594.00 g/mol. Its IUPAC name is 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate.

Molecular Properties

• Compound Name: 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate
• PubChem CID: 159651901
• Molecular Formula: C114H114Br5N37O10S
• Molecular Weight: 2594.00 g/mol
• Exact Mass: 2587.52
• IUPAC Name: 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate
• SMILES: COC(=O)NC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COCCCNC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.NC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)C(N)CO)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCN(S(=O)(=O)c3ncn[nH]3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C25H28BrN7O2.C23H22BrN7O3.C23H24BrN7O2.C22H20BrN9O2S.C21H20BrN7O/c1-35-12-4-9-28-25(34)32-10-7-16(8-11-32)22-21(26)23(27)33-24(31-22)19(15-30-33)18-13-17-5-2-3-6-20(17)29-14-18;1-34-23(33)29-22(32)30-8-6-13(7-9-30)19-18(24)20(25)31-21(28-19)16(12-27-31)15-10-14-4-2-3-5-17(14)26-11-15;24-19-20(13-5-7-30(8-6-13)23(33)17(25)12-32)29-22-16(11-28-31(22)21(19)26)15-9-14-3-1-2-4-18(14)27-10-15;23-18-19(13-5-7-31(8-6-13)35(33,34)22-26-12-27-30-22)29-21-16(11-28-32(21)20(18)24)15-9-14-3-1-2-4-17(14)25-10-15;22-17-18(12-5-7-28(8-6-12)21(24)30)27-20-15(11-26-29(20)19(17)23)14-9-13-3-1-2-4-16(13)25-10-14/h2-3,5-6,13-16H,4,7-12,27H2,1H3,(H,28,34);2-5,10-13H,6-9,25H2,1H3,(H,29,32,33);1-4,9-11,13,17,32H,5-8,12,25-26H2;1-4,9-13H,5-8,24H2,(H,26,27,30);1-4,9-12H,5-8,23H2,(H2,24,30)
• InChIKey: MRRFHCQDFWREHT-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 637.55 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 18
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2594.00
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate?

The IUPAC name of 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate (CID 159651901) is 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate.

What is the SMILES notation for 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate?

The canonical SMILES for 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate is COC(=O)NC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COCCCNC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.NC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)C(N)CO)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCN(S(=O)(=O)c3ncn[nH]3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate?

The InChIKey is MRRFHCQDFWREHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN7O2.C23H22BrN7O3.C23H24BrN7O2.C22H20BrN9O2S.C21H20BrN7O/c1-35-12-4-9-28-25(34)32-10-7-16(8-11-32)22-21(26)23(27)33-24(31-22)19(15-30-33)18-13-17-5-2-3-6-20(17)29-14-18;1-34-23(33)29-22(32)30-8-6-13(7-9-30)19-18(24)20(25)31-21(28-19)16(12-27-31)15-10-14-4-2-3-5-17(14)26-11-15;24-19-20(13-5-7-30(8-6-13)23(33)17(25)12-32)29-22-16(11-28-31(22)21(19)26)15-9-14-3-1-2-4-18(14)27-10-15;23-18-19(13-5-7-31(8-6-13)35(33,34)22-26-12-27-30-22)29-21-16(11-28-32(21)20(18)24)15-9-14-3-1-2-4-17(14)25-10-15;22-17-18(12-5-7-28(8-6-12)21(24)30)27-20-15(11-26-29(20)19(17)23)14-9-13-3-1-2-4-16(13)25-10-14/h2-3,5-6,13-16H,4,7-12,27H2,1H3,(H,28,34);2-5,10-13H,6-9,25H2,1H3,(H,29,32,33);1-4,9-11,13,17,32H,5-8,12,25-26H2;1-4,9-13H,5-8,24H2,(H,26,27,30);1-4,9-12H,5-8,23H2,(H2,24,30).

What are the key properties of 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate?

2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate has a molecular weight of 2594.00 g/mol, XLogP of 17.00, 18 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxypropan-1-one;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide;6-bromo-3-quinolin-3-yl-5-[1-(1H-1,2,4-triazol-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;methyl N-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carbonyl]carbamate is sourced from PubChem (CID 159651901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).