3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane

C105H110Br5N30O10S3- — CID 158421821

About 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane

3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane (PubChem CID 158421821) has the molecular formula C105H110Br5N30O10S3- and a molecular weight of 2447.96 g/mol. Its IUPAC name is 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane.

Molecular Properties

• Compound Name: 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane
• PubChem CID: 158421821
• Molecular Formula: C105H110Br5N30O10S3-
• Molecular Weight: 2447.96 g/mol
• Exact Mass: 2441.41
• IUPAC Name: 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane
• SMILES: C.CCS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CO[C@@H]1COCC[C@@H]1NCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.CO[C@H]1COCC[C@@H]1NCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.CS(=O)(=O)CCNCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.Nc1c(Br)c(CNCCCS(=O)[O-])nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C22H23BrN6O2S.2C22H23BrN6O2.2C19H19BrN6O2S.CH4/c1-2-32(30,31)28-9-7-14(8-10-28)20-19(23)21(24)29-22(27-20)17(13-26-29)16-11-15-5-3-4-6-18(15)25-12-16;2*1-30-19-12-31-7-6-17(19)26-11-18-20(23)21(24)29-22(28-18)15(10-27-29)14-8-13-4-2-3-5-16(13)25-9-14;1-29(27,28)7-6-22-11-16-17(20)18(21)26-19(25-16)14(10-24-26)13-8-12-4-2-3-5-15(12)23-9-13;20-17-16(11-22-6-3-7-29(27)28)25-19-14(10-24-26(19)18(17)21)13-8-12-4-1-2-5-15(12)23-9-13;/h3-6,11-14H,2,7-10,24H2,1H3;2*2-5,8-10,17,19,26H,6-7,11-12,24H2,1H3;2-5,8-10,22H,6-7,11,21H2,1H3;1-2,4-5,8-10,22H,3,6-7,11,21H2,(H,27,28);1H4/p-1/t;17-,19+;17-,19-;;;/m.00.../s1
• InChIKey: ZEBZNFGDVIJCHB-ZAHNNPHMSA-M
• XLogP: 15.89
• TPSA: 542.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2447.96
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?

The IUPAC name of 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane (CID 158421821) is 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane.

What is the SMILES notation for 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?

The canonical SMILES for 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane is C.CCS(=O)(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CO[C@@H]1COCC[C@@H]1NCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.CO[C@H]1COCC[C@@H]1NCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.CS(=O)(=O)CCNCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.Nc1c(Br)c(CNCCCS(=O)[O-])nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?

The InChIKey is ZEBZNFGDVIJCHB-ZAHNNPHMSA-M. The full InChI is InChI=1S/C22H23BrN6O2S.2C22H23BrN6O2.2C19H19BrN6O2S.CH4/c1-2-32(30,31)28-9-7-14(8-10-28)20-19(23)21(24)29-22(27-20)17(13-26-29)16-11-15-5-3-4-6-18(15)25-12-16;2*1-30-19-12-31-7-6-17(19)26-11-18-20(23)21(24)29-22(28-18)15(10-27-29)14-8-13-4-2-3-5-16(13)25-9-14;1-29(27,28)7-6-22-11-16-17(20)18(21)26-19(25-16)14(10-24-26)13-8-12-4-2-3-5-15(12)23-9-13;20-17-16(11-22-6-3-7-29(27)28)25-19-14(10-24-26(19)18(17)21)13-8-12-4-1-2-5-15(12)23-9-13;/h3-6,11-14H,2,7-10,24H2,1H3;2*2-5,8-10,17,19,26H,6-7,11-12,24H2,1H3;2-5,8-10,22H,6-7,11,21H2,1H3;1-2,4-5,8-10,22H,3,6-7,11,21H2,(H,27,28);1H4/p-1/t;17-,19+;17-,19-;;;/m.00.../s1.

What are the key properties of 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?

3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane has a molecular weight of 2447.96 g/mol, XLogP of 15.89, 27 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propane-1-sulfinate;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3R,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(2-methylsulfonylethylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane is sourced from PubChem (CID 158421821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).