2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid

C66H72F2N16O3S2 — CID 158372661

About 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid

2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid (PubChem CID 158372661) has the molecular formula C66H72F2N16O3S2 and a molecular weight of 1239.54 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid
• PubChem CID: 158372661
• Molecular Formula: C66H72F2N16O3S2
• Molecular Weight: 1239.54 g/mol
• Exact Mass: 1238.54
• IUPAC Name: 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid
• SMILES: CN1CCC(C(=O)O)C1.Cc1cc(N2CC3(CN(C(=O)C4CCN(C)C4)C3)C2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CC3(CNC3)C2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12
• InChI: InChI=1S/C33H35FN8OS.C27H26FN7S.C6H11NO2/c1-20-12-25(40-16-33(17-40)18-41(19-33)31(43)23-10-11-38(2)15-23)13-26-30(29(22-4-5-22)37-42(20)26)39(3)32-36-28(27(14-35)44-32)21-6-8-24(34)9-7-21;1-16-9-20(34-14-27(15-34)12-30-13-27)10-21-25(24(18-3-4-18)32-35(16)21)33(2)26-31-23(22(11-29)36-26)17-5-7-19(28)8-6-17;1-7-3-2-5(4-7)6(8)9/h6-9,12-13,22-23H,4-5,10-11,15-19H2,1-3H3;5-10,18,30H,3-4,12-15H2,1-2H3;5H,2-4H2,1H3,(H,8,9)
• InChIKey: GUUOFUXOTCEKKN-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 197.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.54
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid?

The IUPAC name of 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid (CID 158372661) is 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid.

What is the SMILES notation for 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid?

The canonical SMILES for 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid is CN1CCC(C(=O)O)C1.Cc1cc(N2CC3(CN(C(=O)C4CCN(C)C4)C3)C2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CC3(CNC3)C2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.

What is the InChIKey of 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid?

The InChIKey is GUUOFUXOTCEKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN8OS.C27H26FN7S.C6H11NO2/c1-20-12-25(40-16-33(17-40)18-41(19-33)31(43)23-10-11-38(2)15-23)13-26-30(29(22-4-5-22)37-42(20)26)39(3)32-36-28(27(14-35)44-32)21-6-8-24(34)9-7-21;1-16-9-20(34-14-27(15-34)12-30-13-27)10-21-25(24(18-3-4-18)32-35(16)21)33(2)26-31-23(22(11-29)36-26)17-5-7-19(28)8-6-17;1-7-3-2-5(4-7)6(8)9/h6-9,12-13,22-23H,4-5,10-11,15-19H2,1-3H3;5-10,18,30H,3-4,12-15H2,1-2H3;5H,2-4H2,1H3,(H,8,9).

What are the key properties of 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid?

2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 1239.54 g/mol, XLogP of 9.88, 12 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-cyclopropyl-5-(2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-7-methyl-5-[2-(1-methylpyrrolidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 158372661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).