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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C55H51BrF2N12O2S2 — CID 158922258

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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 158922258) has the molecular formula C55H51BrF2N12O2S2 and a molecular weight of 1094.13 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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 158922258
• Molecular Formula: C55H51BrF2N12O2S2
• Molecular Weight: 1094.13 g/mol
• Exact Mass: 1092.29
• 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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: Cc1cc(Br)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCC3(CN(C(=O)[C@H]4CCOC4)C3)C2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12
• InChI: InChI=1S/C33H34FN7O2S.C22H17BrFN5S/c1-20-13-25(39-11-10-33(17-39)18-40(19-33)31(42)23-9-12-43-16-23)14-26-30(29(22-3-4-22)37-41(20)26)38(2)32-36-28(27(15-35)44-32)21-5-7-24(34)8-6-21;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/h5-8,13-14,22-23H,3-4,9-12,16-19H2,1-2H3;5-10,14H,3-4H2,1-2H3/t23-;/m0./s1
• InChIKey: JHZAYMCJOQDSSH-BQAIUKQQSA-N
• XLogP: 11.68
• TPSA: 147.22 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1094.13
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 158922258) 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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is Cc1cc(Br)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCC3(CN(C(=O)[C@H]4CCOC4)C3)C2)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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is JHZAYMCJOQDSSH-BQAIUKQQSA-N. The full InChI is InChI=1S/C33H34FN7O2S.C22H17BrFN5S/c1-20-13-25(39-11-10-33(17-39)18-40(19-33)31(42)23-9-12-43-16-23)14-26-30(29(22-3-4-22)37-41(20)26)38(2)32-36-28(27(15-35)44-32)21-5-7-24(34)8-6-21;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/h5-8,13-14,22-23H,3-4,9-12,16-19H2,1-2H3;5-10,14H,3-4H2,1-2H3/t23-;/m0./s1.

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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 1094.13 g/mol, XLogP of 11.68, 10 rotatable bonds, 0 hydrogen bond donors, and 15 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-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 158922258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).