2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine

C58H61BrF2N14O2S2 — CID 161457069

About 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine

2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine (PubChem CID 161457069) has the molecular formula C58H61BrF2N14O2S2 and a molecular weight of 1168.26 g/mol. Its IUPAC name is 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine.

Molecular Properties

• Compound Name: 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine
• PubChem CID: 161457069
• Molecular Formula: C58H61BrF2N14O2S2
• Molecular Weight: 1168.26 g/mol
• Exact Mass: 1166.37
• IUPAC Name: 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine
• SMILES: C1CN(C2COC2)CCN1.Cc1cc(Br)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCN(C3COC3)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12
• InChI: InChI=1S/C29H30FN7OS.C22H17BrFN5S.C7H14N2O/c1-18-13-22(35-9-11-36(12-10-35)23-16-38-17-23)14-24-28(27(20-3-4-20)33-37(18)24)34(2)29-32-26(25(15-31)39-29)19-5-7-21(30)8-6-19;1-12-9-15(23)10-17-21(20(14-3-4-14)27-29(12)17)28(2)22-26-19(18(11-25)30-22)13-5-7-16(24)8-6-13;1-3-9(4-2-8-1)7-5-10-6-7/h5-8,13-14,20,23H,3-4,9-12,16-17H2,1-2H3;5-10,14H,3-4H2,1-2H3;7-8H,1-6H2
• InChIKey: WBHGMGMACPEMIE-UHFFFAOYSA-N
• XLogP: 10.42
• TPSA: 154.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.26
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine?

The IUPAC name of 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine (CID 161457069) is 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine.

What is the SMILES notation for 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine?

The canonical SMILES for 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine is C1CN(C2COC2)CCN1.Cc1cc(Br)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCN(C3COC3)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.

What is the InChIKey of 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine?

The InChIKey is WBHGMGMACPEMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7OS.C22H17BrFN5S.C7H14N2O/c1-18-13-22(35-9-11-36(12-10-35)23-16-38-17-23)14-24-28(27(20-3-4-20)33-37(18)24)34(2)29-32-26(25(15-31)39-29)19-5-7-21(30)8-6-19;1-12-9-15(23)10-17-21(20(14-3-4-14)27-29(12)17)28(2)22-26-19(18(11-25)30-22)13-5-7-16(24)8-6-13;1-3-9(4-2-8-1)7-5-10-6-7/h5-8,13-14,20,23H,3-4,9-12,16-17H2,1-2H3;5-10,14H,3-4H2,1-2H3;7-8H,1-6H2.

What are the key properties of 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine?

2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine has a molecular weight of 1168.26 g/mol, XLogP of 10.42, 11 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-(oxetan-3-yl)piperazine is sourced from PubChem (CID 161457069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).