2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane

C60H64F2N14O4S2 — CID 158172772

About 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane

2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane (PubChem CID 158172772) has the molecular formula C60H64F2N14O4S2 and a molecular weight of 1147.40 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane.

Molecular Properties

• Compound Name: 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane
• PubChem CID: 158172772
• Molecular Formula: C60H64F2N14O4S2
• Molecular Weight: 1147.40 g/mol
• Exact Mass: 1146.46
• IUPAC Name: 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane
• SMILES: C1OCC2OC12.Cc1cc(N2CCN(C3COCC3O)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCNCC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12
• InChI: InChI=1S/C30H32FN7O2S.C26H26FN7S.C4H6O2/c1-18-13-22(36-9-11-37(12-10-36)24-16-40-17-25(24)39)14-23-29(28(20-3-4-20)34-38(18)23)35(2)30-33-27(26(15-32)41-30)19-5-7-21(31)8-6-19;1-16-13-20(33-11-9-29-10-12-33)14-21-25(24(18-3-4-18)31-34(16)21)32(2)26-30-23(22(15-28)35-26)17-5-7-19(27)8-6-17;1-3-4(6-3)2-5-1/h5-8,13-14,20,24-25,39H,3-4,9-12,16-17H2,1-2H3;5-8,13-14,18,29H,3-4,9-12H2,1-2H3;3-4H,1-2H2
• InChIKey: FXQQFMNVENEWCL-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 187.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1147.40
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane?

The IUPAC name of 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane (CID 158172772) is 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane.

What is the SMILES notation for 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane?

The canonical SMILES for 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane is C1OCC2OC12.Cc1cc(N2CCN(C3COCC3O)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCNCC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.

What is the InChIKey of 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane?

The InChIKey is FXQQFMNVENEWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O2S.C26H26FN7S.C4H6O2/c1-18-13-22(36-9-11-37(12-10-36)24-16-40-17-25(24)39)14-23-29(28(20-3-4-20)34-38(18)23)35(2)30-33-27(26(15-32)41-30)19-5-7-21(31)8-6-19;1-16-13-20(33-11-9-29-10-12-33)14-21-25(24(18-3-4-18)31-34(16)21)32(2)26-30-23(22(15-28)35-26)17-5-7-19(27)8-6-17;1-3-4(6-3)2-5-1/h5-8,13-14,20,24-25,39H,3-4,9-12,16-17H2,1-2H3;5-8,13-14,18,29H,3-4,9-12H2,1-2H3;3-4H,1-2H2.

What are the key properties of 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane?

2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane has a molecular weight of 1147.40 g/mol, XLogP of 8.92, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-cyclopropyl-5-[4-(4-hydroxyoxolan-3-yl)piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;3,6-dioxabicyclo[3.1.0]hexane is sourced from PubChem (CID 158172772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).