3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C60H69ClF2N14O4S2 — CID 158333785

About 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 158333785) has the molecular formula C60H69ClF2N14O4S2 and a molecular weight of 1187.89 g/mol. Its IUPAC name is 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 158333785
• Molecular Formula: C60H69ClF2N14O4S2
• Molecular Weight: 1187.89 g/mol
• Exact Mass: 1186.47
• IUPAC Name: 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nn2c(C)cc(N3CCC4(CN(CC(O)CO)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.OCC(O)CCl
• InChI: InChI=1S/C30H34FN7O2S.C27H28FN7S.C3H7ClO2/c1-4-24-28(35(3)29-33-27(26(13-32)41-29)20-5-7-21(31)8-6-20)25-12-22(11-19(2)38(25)34-24)37-10-9-30(18-37)16-36(17-30)14-23(40)15-39;1-4-21-25(33(3)26-31-24(23(13-29)36-26)18-5-7-19(28)8-6-18)22-12-20(11-17(2)35(22)32-21)34-10-9-27(16-34)14-30-15-27;4-1-3(6)2-5/h5-8,11-12,23,39-40H,4,9-10,14-18H2,1-3H3;5-8,11-12,30H,4,9-10,14-16H2,1-3H3;3,5-6H,1-2H2
• InChIKey: GQIHSSOARVNZEX-UHFFFAOYSA-N
• XLogP: 8.46
• TPSA: 217.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1187.89
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 158333785) is 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-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 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CCC4(CN(CC(O)CO)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.OCC(O)CCl.

What is the InChIKey of 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is GQIHSSOARVNZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O2S.C27H28FN7S.C3H7ClO2/c1-4-24-28(35(3)29-33-27(26(13-32)41-29)20-5-7-21(31)8-6-20)25-12-22(11-19(2)38(25)34-24)37-10-9-30(18-37)16-36(17-30)14-23(40)15-39;1-4-21-25(33(3)26-31-24(23(13-29)36-26)18-5-7-19(28)8-6-18)22-12-20(11-17(2)35(22)32-21)34-10-9-27(16-34)14-30-15-27;4-1-3(6)2-5/h5-8,11-12,23,39-40H,4,9-10,14-18H2,1-3H3;5-8,11-12,30H,4,9-10,14-16H2,1-3H3;3,5-6H,1-2H2.

What are the key properties of 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-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 1187.89 g/mol, XLogP of 8.46, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloropropane-1,2-diol;2-[[5-(2,6-diazaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-[2-(2,3-dihydroxypropyl)-2,7-diazaspiro[3.4]octan-7-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 158333785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).