2-[[5-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C27H26FN7O2S — CID 146267513

About 2-[[5-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[5-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267513) has the molecular formula C27H26FN7O2S and a molecular weight of 531.62 g/mol. Its IUPAC name is 2-[[5-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-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-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 146267513
• Molecular Formula: C27H26FN7O2S
• Molecular Weight: 531.62 g/mol
• Exact Mass: 531.19
• IUPAC Name: 2-[[5-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nn2c(C)cc(-c3cnn(C[C@@H](O)CO)c3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C27H26FN7O2S/c1-4-22-26(33(3)27-31-25(24(11-29)38-27)17-5-7-20(28)8-6-17)23-10-18(9-16(2)35(23)32-22)19-12-30-34(13-19)14-21(37)15-36/h5-10,12-13,21,36-37H,4,14-15H2,1-3H3/t21-/m1/s1
• InChIKey: QYOPXMATHGULOJ-OAQYLSRUSA-N
• XLogP: 4.32
• TPSA: 115.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.62
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-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-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267513) is 2-[[5-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-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-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-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-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(-c3cnn(C[C@@H](O)CO)c3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

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

The InChIKey is QYOPXMATHGULOJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H26FN7O2S/c1-4-22-26(33(3)27-31-25(24(11-29)38-27)17-5-7-20(28)8-6-17)23-10-18(9-16(2)35(23)32-22)19-12-30-34(13-19)14-21(37)15-36/h5-10,12-13,21,36-37H,4,14-15H2,1-3H3/t21-/m1/s1.

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

2-[[5-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-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 531.62 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-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 146267513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).