2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C30H33F2N9OS — CID 146267645

About 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267645) has the molecular formula C30H33F2N9OS and a molecular weight of 605.72 g/mol. Its IUPAC name is 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 146267645
• Molecular Formula: C30H33F2N9OS
• Molecular Weight: 605.72 g/mol
• Exact Mass: 605.25
• IUPAC Name: 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nn2cc(F)c(N3CCN(C(=O)N4CCN(C)CC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C30H33F2N9OS/c1-4-23-28(37(3)29-34-27(26(18-33)43-29)20-5-7-21(31)8-6-20)25-17-24(22(32)19-41(25)35-23)38-13-15-40(16-14-38)30(42)39-11-9-36(2)10-12-39/h5-8,17,19H,4,9-16H2,1-3H3
• InChIKey: JPLXVSKHHNEFHX-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 87.25 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.72
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267645) is 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2cc(F)c(N3CCN(C(=O)N4CCN(C)CC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is JPLXVSKHHNEFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N9OS/c1-4-23-28(37(3)29-34-27(26(18-33)43-29)20-5-7-21(31)8-6-20)25-17-24(22(32)19-41(25)35-23)38-13-15-40(16-14-38)30(42)39-11-9-36(2)10-12-39/h5-8,17,19H,4,9-16H2,1-3H3.

What are the key properties of 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 605.72 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).