2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one

C153H193Cl2FN32O9 — CID 158131237

IUPAC2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
SMILESCC(C)(C)c1ccc(-c2nc(CCC(F)CCC3CCCCC3)n3[nH]c(=O)cc3n2)cc1.CC(C)(C)c1ccc(-c2nc(NCCN3CCCCC3)n3[nH]c(=O)cc3n2)cc1.CC(C)(C)c1ccc(-c2nc(NCc3ccc(C#N)cc3)n3[nH]c(=O)cc3n2)cc1.CN(CCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[nH]n12)C1CCCCC1.Cc1cc(OCCCC(CCO)c2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n23)ccc1Cl.Cc1cc(OCCCN(CCCN(C)C)c2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n23)ccc1Cl
InChIInChI=1S/C30H39ClN6O2.C28H33ClN4O3.C26H35FN4O.C24H34N6O.C23H22N6O.C22H30N6O/c1-21-19-24(13-14-25(21)31)39-18-8-17-36(16-7-15-35(5)6)29-33-28(32-26-20-27(38)34-37(26)29)22-9-11-23(12-10-22)30(2,3)4;1-18-16-22(11-12-23(18)29)36-15-5-6-20(13-14-34)27-31-26(30-24-17-25(35)32-33(24)27)19-7-9-21(10-8-19)28(2,3)4;1-26(2,3)20-12-10-19(11-13-20)25-28-22(31-23(29-25)17-24(32)30-31)16-15-21(27)14-9-18-7-5-4-6-8-18;1-24(2,3)18-12-10-17(11-13-18)22-26-20-16-21(31)28-30(20)23(27-22)25-14-15-29(4)19-8-6-5-7-9-19;1-23(2,3)18-10-8-17(9-11-18)21-26-19-12-20(30)28-29(19)22(27-21)25-14-16-6-4-15(13-24)5-7-16;1-22(2,3)17-9-7-16(8-10-17)20-24-18-15-19(29)26-28(18)21(25-20)23-11-14-27-12-5-4-6-13-27/h9-14,19-20H,7-8,15-18H2,1-6H3,(H,34,38);7-12,16-17,20,34H,5-6,13-15H2,1-4H3,(H,32,35);10-13,17-18,21H,4-9,14-16H2,1-3H3,(H,30,32);10-13,16,19H,5-9,14-15H2,1-4H3,(H,28,31)(H,25,26,27);4-12H,14H2,1-3H3,(H,28,30)(H,25,26,27);7-10,15H,4-6,11-14H2,1-3H3,(H,26,29)(H,23,24,25)
InChIKeyFSUKOTONYPPPBA-UHFFFAOYSA-N
MW2714.35 g/mol
LogP28.46
Rot. Bonds42

About 2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one

2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one (PubChem CID 158131237) has the molecular formula C153H193Cl2FN32O9 and a molecular weight of 2714.35 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
PubChem CID158131237
Molecular FormulaC153H193Cl2FN32O9
Molecular Weight2714.35 g/mol
Exact Mass2711.50
IUPAC Name2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
SMILESCC(C)(C)c1ccc(-c2nc(CCC(F)CCC3CCCCC3)n3[nH]c(=O)cc3n2)cc1.CC(C)(C)c1ccc(-c2nc(NCCN3CCCCC3)n3[nH]c(=O)cc3n2)cc1.CC(C)(C)c1ccc(-c2nc(NCc3ccc(C#N)cc3)n3[nH]c(=O)cc3n2)cc1.CN(CCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[nH]n12)C1CCCCC1.Cc1cc(OCCCC(CCO)c2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n23)ccc1Cl.Cc1cc(OCCCN(CCCN(C)C)c2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n23)ccc1Cl
InChIInChI=1S/C30H39ClN6O2.C28H33ClN4O3.C26H35FN4O.C24H34N6O.C23H22N6O.C22H30N6O/c1-21-19-24(13-14-25(21)31)39-18-8-17-36(16-7-15-35(5)6)29-33-28(32-26-20-27(38)34-37(26)29)22-9-11-23(12-10-22)30(2,3)4;1-18-16-22(11-12-23(18)29)36-15-5-6-20(13-14-34)27-31-26(30-24-17-25(35)32-33(24)27)19-7-9-21(10-8-19)28(2,3)4;1-26(2,3)20-12-10-19(11-13-20)25-28-22(31-23(29-25)17-24(32)30-31)16-15-21(27)14-9-18-7-5-4-6-8-18;1-24(2,3)18-12-10-17(11-13-18)22-26-20-16-21(31)28-30(20)23(27-22)25-14-15-29(4)19-8-6-5-7-9-19;1-23(2,3)18-10-8-17(9-11-18)21-26-19-12-20(30)28-29(19)22(27-21)25-14-16-6-4-15(13-24)5-7-16;1-22(2,3)17-9-7-16(8-10-17)20-24-18-15-19(29)26-28(18)21(25-20)23-11-14-27-12-5-4-6-13-27/h9-14,19-20H,7-8,15-18H2,1-6H3,(H,34,38);7-12,16-17,20,34H,5-6,13-15H2,1-4H3,(H,32,35);10-13,17-18,21H,4-9,14-16H2,1-3H3,(H,30,32);10-13,16,19H,5-9,14-15H2,1-4H3,(H,28,31)(H,25,26,27);4-12H,14H2,1-3H3,(H,28,30)(H,25,26,27);7-10,15H,4-6,11-14H2,1-3H3,(H,26,29)(H,23,24,25)
InChIKeyFSUKOTONYPPPBA-UHFFFAOYSA-N
XLogP28.46
TPSA489.83 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds42
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002714.35
LogP ≤ 528.46
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one with MolForge

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Launch Full Analysis

Related Compounds

2-(4-tert-butylphenyl)-4-[3-(dimethylamino)propyl-[3-(4-hydroxy-3-methylphenoxy)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
CID 134603512
2-(4-tert-butylphenyl)-4-[4-(4-chloro-3-methylphenoxy)butyl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
CID 157442553
5-(4-tert-butylphenyl)-7-[3-(4-hydroxypiperidin-1-yl)propylamino]-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-one
CID 134603495
4-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]ethoxy]benzonitrile
CID 60543115
2-(4-tert-butylphenyl)-4-[(4-ethylphenoxy)methylsulfanyl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
CID 140876442
N-[2-(4-cyanophenyl)ethyl]-1-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]azetidine-2-carboxamide
CID 146217783
4-[(4-chloro-3-methylphenoxy)methyl]benzonitrile
CID 22688362
2-(4-tert-butylphenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
CID 46337803
2-(4-tert-butylphenyl)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
CID 92724234
1-[3-[[2-chloro-4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]methyl]cyclohexyl]pyrrolidin-2-one
CID 69464735
1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine
CID 146327178
N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide
CID 11971594

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one?
The IUPAC name of 2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one (CID 158131237) is 2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one is CC(C)(C)c1ccc(-c2nc(CCC(F)CCC3CCCCC3)n3[nH]c(=O)cc3n2)cc1.CC(C)(C)c1ccc(-c2nc(NCCN3CCCCC3)n3[nH]c(=O)cc3n2)cc1.CC(C)(C)c1ccc(-c2nc(NCc3ccc(C#N)cc3)n3[nH]c(=O)cc3n2)cc1.CN(CCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[nH]n12)C1CCCCC1.Cc1cc(OCCCC(CCO)c2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n23)ccc1Cl.Cc1cc(OCCCN(CCCN(C)C)c2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n23)ccc1Cl.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one?
The InChIKey is FSUKOTONYPPPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN6O2.C28H33ClN4O3.C26H35FN4O.C24H34N6O.C23H22N6O.C22H30N6O/c1-21-19-24(13-14-25(21)31)39-18-8-17-36(16-7-15-35(5)6)29-33-28(32-26-20-27(38)34-37(26)29)22-9-11-23(12-10-22)30(2,3)4;1-18-16-22(11-12-23(18)29)36-15-5-6-20(13-14-34)27-31-26(30-24-17-25(35)32-33(24)27)19-7-9-21(10-8-19)28(2,3)4;1-26(2,3)20-12-10-19(11-13-20)25-28-22(31-23(29-25)17-24(32)30-31)16-15-21(27)14-9-18-7-5-4-6-8-18;1-24(2,3)18-12-10-17(11-13-18)22-26-20-16-21(31)28-30(20)23(27-22)25-14-15-29(4)19-8-6-5-7-9-19;1-23(2,3)18-10-8-17(9-11-18)21-26-19-12-20(30)28-29(19)22(27-21)25-14-16-6-4-15(13-24)5-7-16;1-22(2,3)17-9-7-16(8-10-17)20-24-18-15-19(29)26-28(18)21(25-20)23-11-14-27-12-5-4-6-13-27/h9-14,19-20H,7-8,15-18H2,1-6H3,(H,34,38);7-12,16-17,20,34H,5-6,13-15H2,1-4H3,(H,32,35);10-13,17-18,21H,4-9,14-16H2,1-3H3,(H,30,32);10-13,16,19H,5-9,14-15H2,1-4H3,(H,28,31)(H,25,26,27);4-12H,14H2,1-3H3,(H,28,30)(H,25,26,27);7-10,15H,4-6,11-14H2,1-3H3,(H,26,29)(H,23,24,25).
What are the key properties of 2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one?
2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one has a molecular weight of 2714.35 g/mol, XLogP of 28.46, 42 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-[6-(4-chloro-3-methylphenoxy)-1-hydroxyhexan-3-yl]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[3-(4-chloro-3-methylphenoxy)propyl-[3-(dimethylamino)propyl]amino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-(5-cyclohexyl-3-fluoropentyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;2-(4-tert-butylphenyl)-4-[2-[cyclohexyl(methyl)amino]ethylamino]-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;4-[[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzonitrile;2-(4-tert-butylphenyl)-4-(2-piperidin-1-ylethylamino)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one is sourced from PubChem (CID 158131237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).