4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine

C80H84ClF7N28O2 — CID 158096444

About 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine

4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 158096444) has the molecular formula C80H84ClF7N28O2 and a molecular weight of 1638.18 g/mol. Its IUPAC name is 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine
• PubChem CID: 158096444
• Molecular Formula: C80H84ClF7N28O2
• Molecular Weight: 1638.18 g/mol
• Exact Mass: 1636.69
• IUPAC Name: 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine
• SMILES: Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CC(F)CC2c2ccc(Cl)cc2F)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CC(F)CC2c2ccc(F)cc2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CC(O)CC2c2ccc(F)cc2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CC(O)CC2c2ccc(F)cc2F)n1
• InChI: InChI=1S/C20H20ClF2N7.C20H21F2N7O.C20H21F2N7.C20H22FN7O/c1-10-24-19(26-18-8-16(28-29-18)11-2-3-11)27-20(25-10)30-9-13(22)7-17(30)14-5-4-12(21)6-15(14)23;1-10-23-19(25-18-8-16(27-28-18)11-2-3-11)26-20(24-10)29-9-13(30)7-17(29)14-5-4-12(21)6-15(14)22;1-11-23-19(25-18-9-16(27-28-18)12-2-3-12)26-20(24-11)29-10-15(22)8-17(29)13-4-6-14(21)7-5-13;1-11-22-19(24-18-9-16(26-27-18)12-2-3-12)25-20(23-11)28-10-15(29)8-17(28)13-4-6-14(21)7-5-13/h4-6,8,11,13,17H,2-3,7,9H2,1H3,(H2,24,25,26,27,28,29);4-6,8,11,13,17,30H,2-3,7,9H2,1H3,(H2,23,24,25,26,27,28);4-7,9,12,15,17H,2-3,8,10H2,1H3,(H2,23,24,25,26,27,28);4-7,9,12,15,17,29H,2-3,8,10H2,1H3,(H2,22,23,24,25,26,27)
• InChIKey: FOSMEKGGQMHQND-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 370.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1638.18
LogP ≤ 5	14.65
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine?

The IUPAC name of 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine (CID 158096444) is 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine?

The canonical SMILES for 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine is Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CC(F)CC2c2ccc(Cl)cc2F)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CC(F)CC2c2ccc(F)cc2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CC(O)CC2c2ccc(F)cc2)n1.Cc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CC(O)CC2c2ccc(F)cc2F)n1.

What is the InChIKey of 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine?

The InChIKey is FOSMEKGGQMHQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N7.C20H21F2N7O.C20H21F2N7.C20H22FN7O/c1-10-24-19(26-18-8-16(28-29-18)11-2-3-11)27-20(25-10)30-9-13(22)7-17(30)14-5-4-12(21)6-15(14)23;1-10-23-19(25-18-8-16(27-28-18)11-2-3-11)26-20(24-10)29-9-13(30)7-17(29)14-5-4-12(21)6-15(14)22;1-11-23-19(25-18-9-16(27-28-18)12-2-3-12)26-20(24-11)29-10-15(22)8-17(29)13-4-6-14(21)7-5-13;1-11-22-19(24-18-9-16(26-27-18)12-2-3-12)25-20(23-11)28-10-15(29)8-17(28)13-4-6-14(21)7-5-13/h4-6,8,11,13,17H,2-3,7,9H2,1H3,(H2,24,25,26,27,28,29);4-6,8,11,13,17,30H,2-3,7,9H2,1H3,(H2,23,24,25,26,27,28);4-7,9,12,15,17H,2-3,8,10H2,1H3,(H2,23,24,25,26,27,28);4-7,9,12,15,17,29H,2-3,8,10H2,1H3,(H2,22,23,24,25,26,27).

What are the key properties of 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine?

4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 1638.18 g/mol, XLogP of 14.65, 20 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-chloro-2-fluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-1,3,5-triazin-2-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-fluoro-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 158096444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).