4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate

C143H129FN54O21 — CID 159908902

IUPAC4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4ccc(OC)c(CC(=O)O)c4)n3)n[nH]2)cc1.COC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4cccc(CC(=O)O)c4)n3)n[nH]2)cc1.COC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4cccc(CCC(=O)O)c4)n3)n[nH]2)cc1.COC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4cccc(Cc5nn[nH]n5)c4)n3)n[nH]2)cc1.COc1cc(CNc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc(OC)c1OC.Fc1ccc(CNc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc1.c1ccc(CNc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)nc1
InChIInChI=1S/C23H21N7O5.C23H21N7O4.C22H19N11O2.C22H19N7O4.C20H21N7O4.C17H14FN7O.C16H14N8O/c1-34-18-8-7-16(9-15(18)10-20(31)32)26-22-24-12-25-23(28-22)27-19-11-17(29-30-19)13-3-5-14(6-4-13)21(33)35-2;1-34-21(33)16-8-6-15(7-9-16)18-12-19(30-29-18)27-23-25-13-24-22(28-23)26-17-4-2-3-14(11-17)5-10-20(31)32;1-35-20(34)15-7-5-14(6-8-15)17-11-18(29-28-17)26-22-24-12-23-21(27-22)25-16-4-2-3-13(9-16)10-19-30-32-33-31-19;1-33-20(32)15-7-5-14(6-8-15)17-11-18(29-28-17)26-22-24-12-23-21(27-22)25-16-4-2-3-13(9-16)10-19(30)31;1-28-15-7-12(8-16(29-2)18(15)30-3)10-21-19-22-11-23-20(25-19)24-17-9-13(26-27-17)14-5-4-6-31-14;18-12-5-3-11(4-6-12)9-19-16-20-10-21-17(23-16)22-15-8-13(24-25-15)14-2-1-7-26-14;1-2-6-17-11(4-1)9-18-15-19-10-20-16(22-15)21-14-8-12(23-24-14)13-5-3-7-25-13/h3-9,11-12H,10H2,1-2H3,(H,31,32)(H3,24,25,26,27,28,29,30);2-4,6-9,11-13H,5,10H2,1H3,(H,31,32)(H3,24,25,26,27,28,29,30);2-9,11-12H,10H2,1H3,(H,30,31,32,33)(H3,23,24,25,26,27,28,29);2-9,11-12H,10H2,1H3,(H,30,31)(H3,23,24,25,26,27,28,29);4-9,11H,10H2,1-3H3,(H3,21,22,23,24,25,26,27);1-8,10H,9H2,(H3,19,20,21,22,23,24,25);1-8,10H,9H2,(H3,18,19,20,21,22,23,24)
InChIKeyNWXSVNFKJZLHFP-UHFFFAOYSA-N
MW2958.96 g/mol
LogP21.72
Rot. Bonds55

About 4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate

4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate (PubChem CID 159908902) has the molecular formula C143H129FN54O21 and a molecular weight of 2958.96 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate
PubChem CID159908902
Molecular FormulaC143H129FN54O21
Molecular Weight2958.96 g/mol
Exact Mass2957.07
IUPAC Name4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4ccc(OC)c(CC(=O)O)c4)n3)n[nH]2)cc1.COC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4cccc(CC(=O)O)c4)n3)n[nH]2)cc1.COC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4cccc(CCC(=O)O)c4)n3)n[nH]2)cc1.COC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4cccc(Cc5nn[nH]n5)c4)n3)n[nH]2)cc1.COc1cc(CNc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc(OC)c1OC.Fc1ccc(CNc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc1.c1ccc(CNc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)nc1
InChIInChI=1S/C23H21N7O5.C23H21N7O4.C22H19N11O2.C22H19N7O4.C20H21N7O4.C17H14FN7O.C16H14N8O/c1-34-18-8-7-16(9-15(18)10-20(31)32)26-22-24-12-25-23(28-22)27-19-11-17(29-30-19)13-3-5-14(6-4-13)21(33)35-2;1-34-21(33)16-8-6-15(7-9-16)18-12-19(30-29-18)27-23-25-13-24-22(28-23)26-17-4-2-3-14(11-17)5-10-20(31)32;1-35-20(34)15-7-5-14(6-8-15)17-11-18(29-28-17)26-22-24-12-23-21(27-22)25-16-4-2-3-13(9-16)10-19-30-32-33-31-19;1-33-20(32)15-7-5-14(6-8-15)17-11-18(29-28-17)26-22-24-12-23-21(27-22)25-16-4-2-3-13(9-16)10-19(30)31;1-28-15-7-12(8-16(29-2)18(15)30-3)10-21-19-22-11-23-20(25-19)24-17-9-13(26-27-17)14-5-4-6-31-14;18-12-5-3-11(4-6-12)9-19-16-20-10-21-17(23-16)22-15-8-13(24-25-15)14-2-1-7-26-14;1-2-6-17-11(4-1)9-18-15-19-10-20-16(22-15)21-14-8-12(23-24-14)13-5-3-7-25-13/h3-9,11-12H,10H2,1-2H3,(H,31,32)(H3,24,25,26,27,28,29,30);2-4,6-9,11-13H,5,10H2,1H3,(H,31,32)(H3,24,25,26,27,28,29,30);2-9,11-12H,10H2,1H3,(H,30,31,32,33)(H3,23,24,25,26,27,28,29);2-9,11-12H,10H2,1H3,(H,30,31)(H3,23,24,25,26,27,28,29);4-9,11H,10H2,1-3H3,(H3,21,22,23,24,25,26,27);1-8,10H,9H2,(H3,19,20,21,22,23,24,25);1-8,10H,9H2,(H3,18,19,20,21,22,23,24)
InChIKeyNWXSVNFKJZLHFP-UHFFFAOYSA-N
XLogP21.72
TPSA1000.66 Ų
H-Bond Donors25
H-Bond Acceptors64
Rotatable Bonds55
Heavy Atoms219
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002958.96
LogP ≤ 521.72
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate (CID 159908902) is 4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate is COC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4ccc(OC)c(CC(=O)O)c4)n3)n[nH]2)cc1.COC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4cccc(CC(=O)O)c4)n3)n[nH]2)cc1.COC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4cccc(CCC(=O)O)c4)n3)n[nH]2)cc1.COC(=O)c1ccc(-c2cc(Nc3ncnc(Nc4cccc(Cc5nn[nH]n5)c4)n3)n[nH]2)cc1.COc1cc(CNc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc(OC)c1OC.Fc1ccc(CNc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)cc1.c1ccc(CNc2ncnc(Nc3cc(-c4ccco4)[nH]n3)n2)nc1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate?
The InChIKey is NWXSVNFKJZLHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O5.C23H21N7O4.C22H19N11O2.C22H19N7O4.C20H21N7O4.C17H14FN7O.C16H14N8O/c1-34-18-8-7-16(9-15(18)10-20(31)32)26-22-24-12-25-23(28-22)27-19-11-17(29-30-19)13-3-5-14(6-4-13)21(33)35-2;1-34-21(33)16-8-6-15(7-9-16)18-12-19(30-29-18)27-23-25-13-24-22(28-23)26-17-4-2-3-14(11-17)5-10-20(31)32;1-35-20(34)15-7-5-14(6-8-15)17-11-18(29-28-17)26-22-24-12-23-21(27-22)25-16-4-2-3-13(9-16)10-19-30-32-33-31-19;1-33-20(32)15-7-5-14(6-8-15)17-11-18(29-28-17)26-22-24-12-23-21(27-22)25-16-4-2-3-13(9-16)10-19(30)31;1-28-15-7-12(8-16(29-2)18(15)30-3)10-21-19-22-11-23-20(25-19)24-17-9-13(26-27-17)14-5-4-6-31-14;18-12-5-3-11(4-6-12)9-19-16-20-10-21-17(23-16)22-15-8-13(24-25-15)14-2-1-7-26-14;1-2-6-17-11(4-1)9-18-15-19-10-20-16(22-15)21-14-8-12(23-24-14)13-5-3-7-25-13/h3-9,11-12H,10H2,1-2H3,(H,31,32)(H3,24,25,26,27,28,29,30);2-4,6-9,11-13H,5,10H2,1H3,(H,31,32)(H3,24,25,26,27,28,29,30);2-9,11-12H,10H2,1H3,(H,30,31,32,33)(H3,23,24,25,26,27,28,29);2-9,11-12H,10H2,1H3,(H,30,31)(H3,23,24,25,26,27,28,29);4-9,11H,10H2,1-3H3,(H3,21,22,23,24,25,26,27);1-8,10H,9H2,(H3,19,20,21,22,23,24,25);1-8,10H,9H2,(H3,18,19,20,21,22,23,24).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate?
4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate has a molecular weight of 2958.96 g/mol, XLogP of 21.72, 55 rotatable bonds, 25 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine;2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;2-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;3-[3-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid;2-[2-methoxy-5-[[4-[[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]acetic acid;methyl 4-[3-[[4-[3-(2H-tetrazol-5-ylmethyl)anilino]-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]benzoate is sourced from PubChem (CID 159908902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).