2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C30H26FN7OS — CID 165061506

About 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 165061506) has the molecular formula C30H26FN7OS and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 165061506
• Molecular Formula: C30H26FN7OS
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.19
• IUPAC Name: 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nc2ccc(-c3cnc(CC(=O)CC4CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C30H26FN7OS/c1-3-24-29(37(2)30-36-28(25(14-32)40-30)19-6-9-22(31)10-7-19)38-17-20(8-11-27(38)35-24)21-15-33-26(34-16-21)13-23(39)12-18-4-5-18/h6-11,15-18H,3-5,12-13H2,1-2H3
• InChIKey: YNHUJBQJFUBYGG-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 100.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 165061506) is 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(-c3cnc(CC(=O)CC4CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is YNHUJBQJFUBYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7OS/c1-3-24-29(37(2)30-36-28(25(14-32)40-30)19-6-9-22(31)10-7-19)38-17-20(8-11-27(38)35-24)21-15-33-26(34-16-21)13-23(39)12-18-4-5-18/h6-11,15-18H,3-5,12-13H2,1-2H3.

What are the key properties of 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 551.65 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[2-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 165061506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).