4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C75H92F7N19O8 — CID 158485162

About 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 158485162) has the molecular formula C75H92F7N19O8 and a molecular weight of 1520.67 g/mol. Its IUPAC name is 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
• PubChem CID: 158485162
• Molecular Formula: C75H92F7N19O8
• Molecular Weight: 1520.67 g/mol
• Exact Mass: 1519.73
• IUPAC Name: 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
• SMILES: C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3cncc(C(=O)N(C)C)c3)cc(C3CCC(O)CC3)n2n1.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3cncc(C(=O)N4CCOCC4)c3)cc(C3CCC(O)CC3)n2n1.Cc1nnc(Cn2cc(-c3cc(C4CCC(O)CC4)n4nc(C[C@@H](C)COC(C)F)ncc34)cn2)o1
• InChI: InChI=1S/C26H31F3N6O3.C25H32FN7O3.C24H29F3N6O2/c1-16(12-26(27,28)29)32-25-31-15-23-21(11-22(35(23)33-25)17-2-4-20(36)5-3-17)18-10-19(14-30-13-18)24(37)34-6-8-38-9-7-34;1-15(14-35-16(2)26)8-24-27-11-23-21(9-22(33(23)31-24)18-4-6-20(34)7-5-18)19-10-28-32(12-19)13-25-30-29-17(3)36-25;1-14(10-24(25,26)27)30-23-29-13-21-19(16-8-17(12-28-11-16)22(35)32(2)3)9-20(33(21)31-23)15-4-6-18(34)7-5-15/h10-11,13-17,20,36H,2-9,12H2,1H3,(H,32,33);9-12,15-16,18,20,34H,4-8,13-14H2,1-3H3;8-9,11-15,18,34H,4-7,10H2,1-3H3,(H,30,31)/t16-,17?,20?;15-,16?,18?,20?;14-,15?,18?/m010/s1
• InChIKey: HHZVQEDHVSBBGB-RJJRSMMOSA-N
• XLogP: 12.16
• TPSA: 316.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1520.67
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?

The IUPAC name of 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 158485162) is 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

What is the SMILES notation for 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?

The canonical SMILES for 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3cncc(C(=O)N(C)C)c3)cc(C3CCC(O)CC3)n2n1.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3cncc(C(=O)N4CCOCC4)c3)cc(C3CCC(O)CC3)n2n1.Cc1nnc(Cn2cc(-c3cc(C4CCC(O)CC4)n4nc(C[C@@H](C)COC(C)F)ncc34)cn2)o1.

What is the InChIKey of 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?

The InChIKey is HHZVQEDHVSBBGB-RJJRSMMOSA-N. The full InChI is InChI=1S/C26H31F3N6O3.C25H32FN7O3.C24H29F3N6O2/c1-16(12-26(27,28)29)32-25-31-15-23-21(11-22(35(23)33-25)17-2-4-20(36)5-3-17)18-10-19(14-30-13-18)24(37)34-6-8-38-9-7-34;1-15(14-35-16(2)26)8-24-27-11-23-21(9-22(33(23)31-24)18-4-6-20(34)7-5-18)19-10-28-32(12-19)13-25-30-29-17(3)36-25;1-14(10-24(25,26)27)30-23-29-13-21-19(16-8-17(12-28-11-16)22(35)32(2)3)9-20(33(21)31-23)15-4-6-18(34)7-5-15/h10-11,13-17,20,36H,2-9,12H2,1H3,(H,32,33);9-12,15-16,18,20,34H,4-8,13-14H2,1-3H3;8-9,11-15,18,34H,4-7,10H2,1-3H3,(H,30,31)/t16-,17?,20?;15-,16?,18?,20?;14-,15?,18?/m010/s1.

What are the key properties of 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?

4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 1520.67 g/mol, XLogP of 12.16, 21 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(2R)-3-(1-fluoroethoxy)-2-methylpropyl]-5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N,N-dimethylpyridine-3-carboxamide;[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158485162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).