4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol

C81H78F4N30O2S — CID 159117824

IUPAC4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol
SMILESFc1ccc(C2CCCN2c2ncnc(Nc3cc(-c4ccc5nccnc5c4)[nH]n3)n2)cc1.Fc1ccc(C2CCCN2c2ncnc(Nc3cc(-c4cccs4)[nH]n3)n2)cc1.Fc1ccc(C2CCCN2c2ncnc(Nc3cc(C4CCCO4)[nH]n3)n2)cc1.OCc1cc(Nc2ncnc(N3CCCC3c3ccc(F)cc3)n2)n[nH]1
InChIInChI=1S/C24H20FN9.C20H22FN7O.C20H18FN7S.C17H18FN7O/c25-17-6-3-15(4-7-17)21-2-1-11-34(21)24-29-14-28-23(31-24)30-22-13-19(32-33-22)16-5-8-18-20(12-16)27-10-9-26-18;2*21-14-7-5-13(6-8-14)16-3-1-9-28(16)20-23-12-22-19(25-20)24-18-11-15(26-27-18)17-4-2-10-29-17;18-12-5-3-11(4-6-12)14-2-1-7-25(14)17-20-10-19-16(22-17)21-15-8-13(9-26)23-24-15/h3-10,12-14,21H,1-2,11H2,(H2,28,29,30,31,32,33);5-8,11-12,16-17H,1-4,9-10H2,(H2,22,23,24,25,26,27);2,4-8,10-12,16H,1,3,9H2,(H2,22,23,24,25,26,27);3-6,8,10,14,26H,1-2,7,9H2,(H2,19,20,21,22,23,24)
InChIKeyKFHOJXVEGXYTMZ-UHFFFAOYSA-N
MW1611.78 g/mol
LogP14.96
Rot. Bonds20

About 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol

4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol (PubChem CID 159117824) has the molecular formula C81H78F4N30O2S and a molecular weight of 1611.78 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol
PubChem CID159117824
Molecular FormulaC81H78F4N30O2S
Molecular Weight1611.78 g/mol
Exact Mass1610.66
IUPAC Name4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol
SMILESFc1ccc(C2CCCN2c2ncnc(Nc3cc(-c4ccc5nccnc5c4)[nH]n3)n2)cc1.Fc1ccc(C2CCCN2c2ncnc(Nc3cc(-c4cccs4)[nH]n3)n2)cc1.Fc1ccc(C2CCCN2c2ncnc(Nc3cc(C4CCCO4)[nH]n3)n2)cc1.OCc1cc(Nc2ncnc(N3CCCC3c3ccc(F)cc3)n2)n[nH]1
InChIInChI=1S/C24H20FN9.C20H22FN7O.C20H18FN7S.C17H18FN7O/c25-17-6-3-15(4-7-17)21-2-1-11-34(21)24-29-14-28-23(31-24)30-22-13-19(32-33-22)16-5-8-18-20(12-16)27-10-9-26-18;2*21-14-7-5-13(6-8-14)16-3-1-9-28(16)20-23-12-22-19(25-20)24-18-11-15(26-27-18)17-4-2-10-29-17;18-12-5-3-11(4-6-12)14-2-1-7-25(14)17-20-10-19-16(22-17)21-15-8-13(9-26)23-24-15/h3-10,12-14,21H,1-2,11H2,(H2,28,29,30,31,32,33);5-8,11-12,16-17H,1-4,9-10H2,(H2,22,23,24,25,26,27);2,4-8,10-12,16H,1,3,9H2,(H2,22,23,24,25,26,27);3-6,8,10,14,26H,1-2,7,9H2,(H2,19,20,21,22,23,24)
InChIKeyKFHOJXVEGXYTMZ-UHFFFAOYSA-N
XLogP14.96
TPSA385.72 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001611.78
LogP ≤ 514.96
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol with MolForge

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Related Compounds

[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 157098807
[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 158206938

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol?
The IUPAC name of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol (CID 159117824) is 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol?
The canonical SMILES for 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol is Fc1ccc(C2CCCN2c2ncnc(Nc3cc(-c4ccc5nccnc5c4)[nH]n3)n2)cc1.Fc1ccc(C2CCCN2c2ncnc(Nc3cc(-c4cccs4)[nH]n3)n2)cc1.Fc1ccc(C2CCCN2c2ncnc(Nc3cc(C4CCCO4)[nH]n3)n2)cc1.OCc1cc(Nc2ncnc(N3CCCC3c3ccc(F)cc3)n2)n[nH]1.
What is the InChIKey of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol?
The InChIKey is KFHOJXVEGXYTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN9.C20H22FN7O.C20H18FN7S.C17H18FN7O/c25-17-6-3-15(4-7-17)21-2-1-11-34(21)24-29-14-28-23(31-24)30-22-13-19(32-33-22)16-5-8-18-20(12-16)27-10-9-26-18;2*21-14-7-5-13(6-8-14)16-3-1-9-28(16)20-23-12-22-19(25-20)24-18-11-15(26-27-18)17-4-2-10-29-17;18-12-5-3-11(4-6-12)14-2-1-7-25(14)17-20-10-19-16(22-17)21-15-8-13(9-26)23-24-15/h3-10,12-14,21H,1-2,11H2,(H2,28,29,30,31,32,33);5-8,11-12,16-17H,1-4,9-10H2,(H2,22,23,24,25,26,27);2,4-8,10-12,16H,1,3,9H2,(H2,22,23,24,25,26,27);3-6,8,10,14,26H,1-2,7,9H2,(H2,19,20,21,22,23,24).
What are the key properties of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol?
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol has a molecular weight of 1611.78 g/mol, XLogP of 14.96, 20 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;[3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 159117824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).