4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

C116H109Br4N31O9S — CID 160565809

About 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate (PubChem CID 160565809) has the molecular formula C116H109Br4N31O9S and a molecular weight of 2433.04 g/mol. Its IUPAC name is 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
• PubChem CID: 160565809
• Molecular Formula: C116H109Br4N31O9S
• Molecular Weight: 2433.04 g/mol
• Exact Mass: 2427.55
• IUPAC Name: 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
• SMILES: CCCS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCNC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCOC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.[C-]#[N+]c1c(-c2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
• InChI: InChI=1S/C25H16N6O2.C23H24BrN7O.C23H25BrN6O2S.C23H23BrN6O2.C22H21BrN6O2/c1-27-22-21(16-7-9-17(10-8-16)25(32)33)30-24-19(14-29-31(24)23(22)26)18-11-12-20(28-13-18)15-5-3-2-4-6-15;1-2-26-23(32)30-9-7-14(8-10-30)20-19(24)21(25)31-22(29-20)17(13-28-31)16-11-15-5-3-4-6-18(15)27-12-16;1-2-11-33(31,32)29-9-7-15(8-10-29)21-20(24)22(25)30-23(28-21)18(14-27-30)17-12-16-5-3-4-6-19(16)26-13-17;1-2-32-23(31)29-9-7-14(8-10-29)20-19(24)21(25)30-22(28-20)17(13-27-30)16-11-15-5-3-4-6-18(15)26-12-16;1-31-22(30)28-8-6-13(7-9-28)19-18(23)20(24)29-21(27-19)16(12-26-29)15-10-14-4-2-3-5-17(14)25-11-15/h2-14H,26H2,(H,32,33);3-6,11-14H,2,7-10,25H2,1H3,(H,26,32);3-6,12-15H,2,7-11,25H2,1H3;3-6,11-14H,2,7-10,25H2,1H3;2-5,10-13H,6-9,24H2,1H3
• InChIKey: QZXCITIPKHNBIT-UHFFFAOYSA-N
• XLogP: 22.22
• TPSA: 515.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2433.04
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?

The IUPAC name of 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate (CID 160565809) is 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate.

What is the SMILES notation for 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?

The canonical SMILES for 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate is CCCS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCNC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCOC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COC(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.[C-]#[N+]c1c(-c2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.

What is the InChIKey of 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?

The InChIKey is QZXCITIPKHNBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O2.C23H24BrN7O.C23H25BrN6O2S.C23H23BrN6O2.C22H21BrN6O2/c1-27-22-21(16-7-9-17(10-8-16)25(32)33)30-24-19(14-29-31(24)23(22)26)18-11-12-20(28-13-18)15-5-3-2-4-6-15;1-2-26-23(32)30-9-7-14(8-10-30)20-19(24)21(25)31-22(29-20)17(13-28-31)16-11-15-5-3-4-6-18(15)27-12-16;1-2-11-33(31,32)29-9-7-15(8-10-29)21-20(24)22(25)30-23(28-21)18(14-27-30)17-12-16-5-3-4-6-19(16)26-13-17;1-2-32-23(31)29-9-7-14(8-10-29)20-19(24)21(25)30-22(28-20)17(13-27-30)16-11-15-5-3-4-6-18(15)26-12-16;1-31-22(30)28-8-6-13(7-9-28)19-18(23)20(24)29-21(27-19)16(12-26-29)15-10-14-4-2-3-5-17(14)25-11-15/h2-14H,26H2,(H,32,33);3-6,11-14H,2,7-10,25H2,1H3,(H,26,32);3-6,12-15H,2,7-11,25H2,1H3;3-6,11-14H,2,7-10,25H2,1H3;2-5,10-13H,6-9,24H2,1H3.

What are the key properties of 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?

4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate has a molecular weight of 2433.04 g/mol, XLogP of 22.22, 17 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 160565809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).