1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine

C76H80F8N32O3 — CID 159401143

About 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine

1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 159401143) has the molecular formula C76H80F8N32O3 and a molecular weight of 1641.68 g/mol. Its IUPAC name is 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 159401143
• Molecular Formula: C76H80F8N32O3
• Molecular Weight: 1641.68 g/mol
• Exact Mass: 1640.70
• IUPAC Name: 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
• SMILES: C/C=C/c1cc(Nc2nc(N)nc(N3CC(F)CC3c3cc(F)ccc3F)n2)n[nH]1.C/C=C/c1cc(Nc2nc(N)nc(N3CC(O)CC3c3cc(F)ccc3F)n2)n[nH]1.C/C=C/c1cc(Nc2nc(N)nc(N3CC(O)CC3c3ccc(F)cc3)n2)n[nH]1.C/C=C/c1cc(Nc2nc(N)nc(N3CC(O)CC3c3ccc(F)cc3F)n2)n[nH]1
• InChI: InChI=1S/C19H19F3N8.2C19H20F2N8O.C19H21FN8O/c1-2-3-12-8-16(29-28-12)24-18-25-17(23)26-19(27-18)30-9-11(21)7-15(30)13-6-10(20)4-5-14(13)22;1-2-3-11-7-16(28-27-11)23-18-24-17(22)25-19(26-18)29-9-12(30)8-15(29)13-6-10(20)4-5-14(13)21;1-2-3-11-7-16(28-27-11)23-18-24-17(22)25-19(26-18)29-9-12(30)8-15(29)13-5-4-10(20)6-14(13)21;1-2-3-13-8-16(27-26-13)22-18-23-17(21)24-19(25-18)28-10-14(29)9-15(28)11-4-6-12(20)7-5-11/h2-6,8,11,15H,7,9H2,1H3,(H4,23,24,25,26,27,28,29);2*2-7,12,15,30H,8-9H2,1H3,(H4,22,23,24,25,26,27,28);2-8,14-15,29H,9-10H2,1H3,(H4,21,22,23,24,25,26,27)/b4*3-2+
• InChIKey: LNIVDYVFZBMCAX-YHACPVHJSA-N
• XLogP: 11.01
• TPSA: 495.25 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1641.68
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine (CID 159401143) is 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine is C/C=C/c1cc(Nc2nc(N)nc(N3CC(F)CC3c3cc(F)ccc3F)n2)n[nH]1.C/C=C/c1cc(Nc2nc(N)nc(N3CC(O)CC3c3cc(F)ccc3F)n2)n[nH]1.C/C=C/c1cc(Nc2nc(N)nc(N3CC(O)CC3c3ccc(F)cc3)n2)n[nH]1.C/C=C/c1cc(Nc2nc(N)nc(N3CC(O)CC3c3ccc(F)cc3F)n2)n[nH]1.

What is the InChIKey of 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?

The InChIKey is LNIVDYVFZBMCAX-YHACPVHJSA-N. The full InChI is InChI=1S/C19H19F3N8.2C19H20F2N8O.C19H21FN8O/c1-2-3-12-8-16(29-28-12)24-18-25-17(23)26-19(27-18)30-9-11(21)7-15(30)13-6-10(20)4-5-14(13)22;1-2-3-11-7-16(28-27-11)23-18-24-17(22)25-19(26-18)29-9-12(30)8-15(29)13-6-10(20)4-5-14(13)21;1-2-3-11-7-16(28-27-11)23-18-24-17(22)25-19(26-18)29-9-12(30)8-15(29)13-5-4-10(20)6-14(13)21;1-2-3-13-8-16(27-26-13)22-18-23-17(21)24-19(25-18)28-10-14(29)9-15(28)11-4-6-12(20)7-5-11/h2-6,8,11,15H,7,9H2,1H3,(H4,23,24,25,26,27,28,29);2*2-7,12,15,30H,8-9H2,1H3,(H4,22,23,24,25,26,27,28);2-8,14-15,29H,9-10H2,1H3,(H4,21,22,23,24,25,26,27)/b4*3-2+.

What are the key properties of 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?

1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1641.68 g/mol, XLogP of 11.01, 20 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159401143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).