2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol

C66H80FN21O4 — CID 157205241

About 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol

2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 157205241) has the molecular formula C66H80FN21O4 and a molecular weight of 1250.51 g/mol. Its IUPAC name is 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

• Compound Name: 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
• PubChem CID: 157205241
• Molecular Formula: C66H80FN21O4
• Molecular Weight: 1250.51 g/mol
• Exact Mass: 1249.67
• IUPAC Name: 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
• SMILES: CC(C)NC1(C)CCN(c2ncc(-c3ccc(-c4cnn(C)c4)cc3O)nn2)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC(C3(NC4CCOCC4)CC3)C2)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC(NC3CCC(F)C3)C2)nn1
• InChI: InChI=1S/C24H29N7O2.C21H24FN7O.C21H27N7O/c32-22-11-16(17-12-26-27-13-17)1-2-20(22)21-14-25-23(30-29-21)31-8-3-18(15-31)24(6-7-24)28-19-4-9-33-10-5-19;22-15-2-3-16(8-15)26-17-5-6-29(12-17)21-23-11-19(27-28-21)18-4-1-13(7-20(18)30)14-9-24-25-10-14;1-14(2)24-21(3)7-8-28(13-21)20-22-11-18(25-26-20)17-6-5-15(9-19(17)29)16-10-23-27(4)12-16/h1-2,11-14,18-19,28,32H,3-10,15H2,(H,26,27);1,4,7,9-11,15-17,26,30H,2-3,5-6,8,12H2,(H,24,25);5-6,9-12,14,24,29H,7-8,13H2,1-4H3
• InChIKey: ARGUXEMGNKGDJQ-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 306.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1250.51
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?

The IUPAC name of 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol (CID 157205241) is 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol.

What is the SMILES notation for 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?

The canonical SMILES for 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol is CC(C)NC1(C)CCN(c2ncc(-c3ccc(-c4cnn(C)c4)cc3O)nn2)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC(C3(NC4CCOCC4)CC3)C2)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCC(NC3CCC(F)C3)C2)nn1.

What is the InChIKey of 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?

The InChIKey is ARGUXEMGNKGDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2.C21H24FN7O.C21H27N7O/c32-22-11-16(17-12-26-27-13-17)1-2-20(22)21-14-25-23(30-29-21)31-8-3-18(15-31)24(6-7-24)28-19-4-9-33-10-5-19;22-15-2-3-16(8-15)26-17-5-6-29(12-17)21-23-11-19(27-28-21)18-4-1-13(7-20(18)30)14-9-24-25-10-14;1-14(2)24-21(3)7-8-28(13-21)20-22-11-18(25-26-20)17-6-5-15(9-19(17)29)16-10-23-27(4)12-16/h1-2,11-14,18-19,28,32H,3-10,15H2,(H,26,27);1,4,7,9-11,15-17,26,30H,2-3,5-6,8,12H2,(H,24,25);5-6,9-12,14,24,29H,7-8,13H2,1-4H3.

What are the key properties of 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?

2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 1250.51 g/mol, XLogP of 8.07, 16 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[(3-fluorocyclopentyl)amino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-methyl-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;2-[3-[3-[1-(oxan-4-ylamino)cyclopropyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 157205241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).