4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C118H125Br4N35O7 — CID 158622621

About 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158622621) has the molecular formula C118H125Br4N35O7 and a molecular weight of 2465.15 g/mol. Its IUPAC name is 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158622621
• Molecular Formula: C118H125Br4N35O7
• Molecular Weight: 2465.15 g/mol
• Exact Mass: 2459.72
• IUPAC Name: 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(=O)N1CCN(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.CNC(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2C#N)CC1.CON(C)C(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5(C)CCOCC5)nc34)cc2c1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4c(c3)CC=C4)cnn12
• InChI: InChI=1S/C25H29BrN8O2.C25H27N9O.C24H24BrN7O.C23H25BrN6O.C21H20BrN5O2/c1-15-4-5-20-16(10-15)11-17(12-29-20)19-13-30-34-23(27)22(26)21(31-24(19)34)14-28-18-6-8-33(9-7-18)25(35)32(2)36-3;1-15-3-4-21-16(9-15)10-17(12-30-21)20-13-31-34-23(27)19(11-26)22(32-24(20)34)14-29-18-5-7-33(8-6-18)25(35)28-2;1-16(33)31-11-9-30(10-12-31)15-21-22(25)23(26)32-24(29-21)19(14-28-32)18-7-8-20(27-13-18)17-5-3-2-4-6-17;1-14-3-4-18-15(9-14)10-16(11-26-18)17-12-28-30-21(25)20(24)19(29-22(17)30)13-27-23(2)5-7-31-8-6-23;22-17-18(11-4-6-12(7-5-11)21(28)29)26-20-15(10-25-27(20)19(17)23)14-8-13-2-1-3-16(13)24-9-14/h4-5,10-13,18,28H,6-9,14,27H2,1-3H3;3-4,9-10,12-13,18,29H,5-8,14,27H2,1-2H3,(H,28,35);2-8,13-14H,9-12,15,26H2,1H3;3-4,9-12,27H,5-8,13,25H2,1-2H3;1,3,8-12H,2,4-7,23H2,(H,28,29)
• InChIKey: HYEPPGKYZLAGTM-UHFFFAOYSA-N
• XLogP: 18.15
• TPSA: 540.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2465.15
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158622621) is 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)N1CCN(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.CNC(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2C#N)CC1.CON(C)C(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5(C)CCOCC5)nc34)cc2c1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4c(c3)CC=C4)cnn12.

What is the InChIKey of 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is HYEPPGKYZLAGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN8O2.C25H27N9O.C24H24BrN7O.C23H25BrN6O.C21H20BrN5O2/c1-15-4-5-20-16(10-15)11-17(12-29-20)19-13-30-34-23(27)22(26)21(31-24(19)34)14-28-18-6-8-33(9-7-18)25(35)32(2)36-3;1-15-3-4-21-16(9-15)10-17(12-30-21)20-13-31-34-23(27)19(11-26)22(32-24(20)34)14-29-18-5-7-33(8-6-18)25(35)28-2;1-16(33)31-11-9-30(10-12-31)15-21-22(25)23(26)32-24(29-21)19(14-28-32)18-7-8-20(27-13-18)17-5-3-2-4-6-17;1-14-3-4-18-15(9-14)10-16(11-26-18)17-12-28-30-21(25)20(24)19(29-22(17)30)13-27-23(2)5-7-31-8-6-23;22-17-18(11-4-6-12(7-5-11)21(28)29)26-20-15(10-25-27(20)19(17)23)14-8-13-2-1-3-16(13)24-9-14/h4-5,10-13,18,28H,6-9,14,27H2,1-3H3;3-4,9-10,12-13,18,29H,5-8,14,27H2,1-2H3,(H,28,35);2-8,13-14H,9-12,15,26H2,1H3;3-4,9-12,27H,5-8,13,25H2,1-2H3;1,3,8-12H,2,4-7,23H2,(H,28,29).

What are the key properties of 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2465.15 g/mol, XLogP of 18.15, 20 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methoxy-N-methylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperazin-1-yl]ethanone;4-[[7-amino-6-cyano-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N-methylpiperidine-1-carboxamide;6-bromo-5-[[(4-methyloxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158622621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).