N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone

C55H52BrF2N11O2S2 — CID 157170149

About N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone

N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 157170149) has the molecular formula C55H52BrF2N11O2S2 and a molecular weight of 1081.13 g/mol. Its IUPAC name is N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

• Compound Name: N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone
• PubChem CID: 157170149
• Molecular Formula: C55H52BrF2N11O2S2
• Molecular Weight: 1081.13 g/mol
• Exact Mass: 1079.29
• IUPAC Name: N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone
• SMILES: C#Cc1sc(N(C)c2c(C3CC3)nn3cc(C)c(Br)cc23)nc1-c1ccc(F)cc1.C#Cc1sc(N(C)c2c(C3CC3)nn3cc(C)c(N4CCN(CC(=O)N5CC(O)C5)CC4)cc23)nc1-c1ccc(F)cc1
• InChI: InChI=1S/C32H34FN7O2S.C23H18BrFN4S/c1-4-27-29(21-7-9-23(33)10-8-21)34-32(43-27)36(3)31-26-15-25(20(2)16-40(26)35-30(31)22-5-6-22)38-13-11-37(12-14-38)19-28(42)39-17-24(41)18-39;1-4-19-20(14-7-9-16(25)10-8-14)26-23(30-19)28(3)22-18-11-17(24)13(2)12-29(18)27-21(22)15-5-6-15/h1,7-10,15-16,22,24,41H,5-6,11-14,17-19H2,2-3H3;1,7-12,15H,5-6H2,2-3H3
• InChIKey: ANJFSFDHULJKGH-UHFFFAOYSA-N
• XLogP: 10.15
• TPSA: 113.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1081.13
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone?

The IUPAC name of N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone (CID 157170149) is N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone.

What is the SMILES notation for N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone?

The canonical SMILES for N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone is C#Cc1sc(N(C)c2c(C3CC3)nn3cc(C)c(Br)cc23)nc1-c1ccc(F)cc1.C#Cc1sc(N(C)c2c(C3CC3)nn3cc(C)c(N4CCN(CC(=O)N5CC(O)C5)CC4)cc23)nc1-c1ccc(F)cc1.

What is the InChIKey of N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone?

The InChIKey is ANJFSFDHULJKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN7O2S.C23H18BrFN4S/c1-4-27-29(21-7-9-23(33)10-8-21)34-32(43-27)36(3)31-26-15-25(20(2)16-40(26)35-30(31)22-5-6-22)38-13-11-37(12-14-38)19-28(42)39-17-24(41)18-39;1-4-19-20(14-7-9-16(25)10-8-14)26-23(30-19)28(3)22-18-11-17(24)13(2)12-29(18)27-21(22)15-5-6-15/h1,7-10,15-16,22,24,41H,5-6,11-14,17-19H2,2-3H3;1,7-12,15H,5-6H2,2-3H3.

What are the key properties of N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone?

N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 1081.13 g/mol, XLogP of 10.15, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[4-[2-cyclopropyl-3-[[5-ethynyl-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 157170149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).