4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C109H130F4N24O — CID 159428581

About 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 159428581) has the molecular formula C109H130F4N24O and a molecular weight of 1868.40 g/mol. Its IUPAC name is 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
• PubChem CID: 159428581
• Molecular Formula: C109H130F4N24O
• Molecular Weight: 1868.40 g/mol
• Exact Mass: 1867.08
• IUPAC Name: 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
• SMILES: C#CCCN(C)Cc1ccn2c(-c3ccnc(NCC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1.CCCN(C)Cc1ccn2c(-c3ccnc(NCC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1.CCN(CC)Cc1ccn2c(-c3ccnc(NCC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1.COCCN(C)Cc1ccn2c(-c3ccnc(NCC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1
• InChI: InChI=1S/C28H31FN6.C27H33FN6O.2C27H33FN6/c1-6-7-15-34(5)18-20-13-16-35-24(17-20)33-25(21-8-10-22(29)11-9-21)26(35)23-12-14-30-27(32-23)31-19-28(2,3)4;1-27(2,3)18-30-26-29-12-10-22(31-26)25-24(20-6-8-21(28)9-7-20)32-23-16-19(11-13-34(23)25)17-33(4)14-15-35-5;1-6-14-33(5)17-19-12-15-34-23(16-19)32-24(20-7-9-21(28)10-8-20)25(34)22-11-13-29-26(31-22)30-18-27(2,3)4;1-6-33(7-2)17-19-13-15-34-23(16-19)32-24(20-8-10-21(28)11-9-20)25(34)22-12-14-29-26(31-22)30-18-27(3,4)5/h1,8-14,16-17H,7,15,18-19H2,2-5H3,(H,30,31,32);6-13,16H,14-15,17-18H2,1-5H3,(H,29,30,31);7-13,15-16H,6,14,17-18H2,1-5H3,(H,29,30,31);8-16H,6-7,17-18H2,1-5H3,(H,29,30,31)
• InChIKey: LQRPAOZCLJLCAH-UHFFFAOYSA-N
• XLogP: 22.44
• TPSA: 242.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 33
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1868.40
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?

The IUPAC name of 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 159428581) is 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?

The canonical SMILES for 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is C#CCCN(C)Cc1ccn2c(-c3ccnc(NCC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1.CCCN(C)Cc1ccn2c(-c3ccnc(NCC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1.CCN(CC)Cc1ccn2c(-c3ccnc(NCC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1.COCCN(C)Cc1ccn2c(-c3ccnc(NCC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1.

What is the InChIKey of 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?

The InChIKey is LQRPAOZCLJLCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6.C27H33FN6O.2C27H33FN6/c1-6-7-15-34(5)18-20-13-16-35-24(17-20)33-25(21-8-10-22(29)11-9-21)26(35)23-12-14-30-27(32-23)31-19-28(2,3)4;1-27(2,3)18-30-26-29-12-10-22(31-26)25-24(20-6-8-21(28)9-7-20)32-23-16-19(11-13-34(23)25)17-33(4)14-15-35-5;1-6-14-33(5)17-19-12-15-34-23(16-19)32-24(20-7-9-21(28)10-8-20)25(34)22-11-13-29-26(31-22)30-18-27(2,3)4;1-6-33(7-2)17-19-13-15-34-23(16-19)32-24(20-8-10-21(28)11-9-20)25(34)22-12-14-29-26(31-22)30-18-27(3,4)5/h1,8-14,16-17H,7,15,18-19H2,2-5H3,(H,30,31,32);6-13,16H,14-15,17-18H2,1-5H3,(H,29,30,31);7-13,15-16H,6,14,17-18H2,1-5H3,(H,29,30,31);8-16H,6-7,17-18H2,1-5H3,(H,29,30,31).

What are the key properties of 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?

4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 1868.40 g/mol, XLogP of 22.44, 33 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 159428581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).