2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C30H32FN7OS — CID 146267742

About 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267742) has the molecular formula C30H32FN7OS and a molecular weight of 557.70 g/mol. Its IUPAC name is 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 146267742
• Molecular Formula: C30H32FN7OS
• Molecular Weight: 557.70 g/mol
• Exact Mass: 557.24
• IUPAC Name: 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nn2c(C)cc(N3CCN(CC(=O)C4CC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C30H32FN7OS/c1-4-24-29(35(3)30-33-28(27(17-32)40-30)21-7-9-22(31)10-8-21)25-16-23(15-19(2)38(25)34-24)37-13-11-36(12-14-37)18-26(39)20-5-6-20/h7-10,15-16,20H,4-6,11-14,18H2,1-3H3
• InChIKey: LEJDPFPJWHJYOV-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 80.77 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.70
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267742) is 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CCN(CC(=O)C4CC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is LEJDPFPJWHJYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7OS/c1-4-24-29(35(3)30-33-28(27(17-32)40-30)21-7-9-22(31)10-8-21)25-16-23(15-19(2)38(25)34-24)37-13-11-36(12-14-37)18-26(39)20-5-6-20/h7-10,15-16,20H,4-6,11-14,18H2,1-3H3.

What are the key properties of 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 557.70 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).