2-[[2-ethyl-7-methyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C30H32FN7O2S — CID 146267874

About 2-[[2-ethyl-7-methyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-7-methyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267874) has the molecular formula C30H32FN7O2S and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-[[2-ethyl-7-methyl-5-[4-[(3S)-oxolane-3-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-7-methyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 146267874
• Molecular Formula: C30H32FN7O2S
• Molecular Weight: 573.70 g/mol
• Exact Mass: 573.23
• IUPAC Name: 2-[[2-ethyl-7-methyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nn2c(C)cc(N3CCN(C(=O)[C@H]4CCOC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C30H32FN7O2S/c1-4-24-28(35(3)30-33-27(26(17-32)41-30)20-5-7-22(31)8-6-20)25-16-23(15-19(2)38(25)34-24)36-10-12-37(13-11-36)29(39)21-9-14-40-18-21/h5-8,15-16,21H,4,9-14,18H2,1-3H3/t21-/m0/s1
• InChIKey: BWVXAFBIYJMXCA-NRFANRHFSA-N
• XLogP: 4.79
• TPSA: 90.00 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.70
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-7-methyl-5-[4-[(3S)-oxolane-3-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-7-methyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267874) is 2-[[2-ethyl-7-methyl-5-[4-[(3S)-oxolane-3-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-7-methyl-5-[4-[(3S)-oxolane-3-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-7-methyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CCN(C(=O)[C@H]4CCOC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[2-ethyl-7-methyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is BWVXAFBIYJMXCA-NRFANRHFSA-N. The full InChI is InChI=1S/C30H32FN7O2S/c1-4-24-28(35(3)30-33-27(26(17-32)41-30)20-5-7-22(31)8-6-20)25-16-23(15-19(2)38(25)34-24)36-10-12-37(13-11-36)29(39)21-9-14-40-18-21/h5-8,15-16,21H,4,9-14,18H2,1-3H3/t21-/m0/s1.

What are the key properties of 2-[[2-ethyl-7-methyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-ethyl-7-methyl-5-[4-[(3S)-oxolane-3-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 573.70 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-ethyl-7-methyl-5-[4-[(3S)-oxolane-3-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 146267874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).