4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol

C69H67F7N16O5 — CID 160610143

About 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol

4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol (PubChem CID 160610143) has the molecular formula C69H67F7N16O5 and a molecular weight of 1333.39 g/mol. Its IUPAC name is 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol.

Molecular Properties

• Compound Name: 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol
• PubChem CID: 160610143
• Molecular Formula: C69H67F7N16O5
• Molecular Weight: 1333.39 g/mol
• Exact Mass: 1332.54
• IUPAC Name: 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol
• SMILES: CC(O)(C#Cc1cc2c(-c3nc(N)ncc3C(F)(F)F)cn(C3COC3)c2cn1)C1CC1.CC(O)(C#Cc1cc2c(-c3nc(N)ncc3F)cn(C3COC3)c2c(C2CC2)n1)C1CC1.CN1CC(n2cc(-c3nc(N)ncc3C(F)(F)F)c3cc(C#CC(C)(O)C4CC4)ncc32)C1
• InChI: InChI=1S/C24H24FN5O2.C23H23F3N6O.C22H20F3N5O2/c1-24(31,14-4-5-14)7-6-15-8-17-18(21-19(25)9-27-23(26)29-21)10-30(16-11-32-12-16)22(17)20(28-15)13-2-3-13;1-22(33,13-3-4-13)6-5-14-7-16-17(20-18(23(24,25)26)8-29-21(27)30-20)12-32(19(16)9-28-14)15-10-31(2)11-15;1-21(31,12-2-3-12)5-4-13-6-15-16(9-30(14-10-32-11-14)18(15)8-27-13)19-17(22(23,24)25)7-28-20(26)29-19/h8-10,13-14,16,31H,2-5,11-12H2,1H3,(H2,26,27,29);7-9,12-13,15,33H,3-4,10-11H2,1-2H3,(H2,27,29,30);6-9,12,14,31H,2-3,10-11H2,1H3,(H2,26,28,29)
• InChIKey: RFKHIMTVPSUKRI-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 291.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1333.39
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol?

The IUPAC name of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol (CID 160610143) is 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol.

What is the SMILES notation for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol?

The canonical SMILES for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol is CC(O)(C#Cc1cc2c(-c3nc(N)ncc3C(F)(F)F)cn(C3COC3)c2cn1)C1CC1.CC(O)(C#Cc1cc2c(-c3nc(N)ncc3F)cn(C3COC3)c2c(C2CC2)n1)C1CC1.CN1CC(n2cc(-c3nc(N)ncc3C(F)(F)F)c3cc(C#CC(C)(O)C4CC4)ncc32)C1.

What is the InChIKey of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol?

The InChIKey is RFKHIMTVPSUKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2.C23H23F3N6O.C22H20F3N5O2/c1-24(31,14-4-5-14)7-6-15-8-17-18(21-19(25)9-27-23(26)29-21)10-30(16-11-32-12-16)22(17)20(28-15)13-2-3-13;1-22(33,13-3-4-13)6-5-14-7-16-17(20-18(23(24,25)26)8-29-21(27)30-20)12-32(19(16)9-28-14)15-10-31(2)11-15;1-21(31,12-2-3-12)5-4-13-6-15-16(9-30(14-10-32-11-14)18(15)8-27-13)19-17(22(23,24)25)7-28-20(26)29-19/h8-10,13-14,16,31H,2-5,11-12H2,1H3,(H2,26,27,29);7-9,12-13,15,33H,3-4,10-11H2,1-2H3,(H2,27,29,30);6-9,12,14,31H,2-3,10-11H2,1H3,(H2,26,28,29).

What are the key properties of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol?

4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol has a molecular weight of 1333.39 g/mol, XLogP of 9.45, 10 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-7-cyclopropyl-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(1-methylazetidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol is sourced from PubChem (CID 160610143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).