3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide

C212H193Cl6F10N55O19 — CID 157347747

IUPAC3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide
SMILESC=C1COc2ccc(C(C)Nc3c4ncnc(C(=O)NCc5ccc(F)c(C)c5)c4nn3C)cc2C1.CC(=O)C1CCC(CNc2n[nH]c3c(C(=O)NCc4ccnc(C(F)(F)F)c4)ncnc23)CC1.CC(=O)c1ccc(C(C)Nc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.CC(=O)c1ccc2c(c1)CCC2Nc1c[nH]c2c(C(=O)NCc3ccnc(C(F)(F)F)c3)ncnc12.Cc1ccc(CNc2c3ncnc(C(=O)NCc4ccc(F)c(Cl)c4)c3nn2C)cc1Cl.Cc1ccc(CNc2cn(C)c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)cc1Cl.Cc1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc5oc(=O)n(C)c5c4)ncnc23)cc1Cl.Cn1nc(NCc2ccccc2)c2ncnc(C(=O)NCc3ccc(F)c(Cl)c3)c21.O=C1COc2ccc(CNC(=O)c3ncnc4c(NCc5ccccc5)n[nH]c34)cc2C1
InChIInChI=1S/C27H27FN6O2.C26H24ClN5O3.C25H21F3N6O2.C23H20ClFN6O2.C23H20ClN7O3.C23H20N6O3.C22H19Cl2FN6O.C22H24F3N7O2.C21H18ClFN6O/c1-15-9-20-11-19(6-8-22(20)36-13-15)17(3)32-26-24-23(33-34(26)4)25(31-14-30-24)27(35)29-12-18-5-7-21(28)16(2)10-18;1-15-3-4-17(8-20(15)27)10-28-21-12-32(2)25-23(21)30-14-31-24(25)26(34)29-11-16-5-6-22-18(7-16)9-19(33)13-35-22;1-13(35)15-2-4-17-16(9-15)3-5-18(17)34-19-11-30-22-21(19)32-12-33-23(22)24(36)31-10-14-6-7-29-20(8-14)25(26,27)28;1-12(15-4-6-16(7-5-15)13(2)32)29-22-20-19(30-31-22)21(28-11-27-20)23(33)26-10-14-3-8-18(25)17(24)9-14;1-12-3-4-13(7-15(12)24)9-25-21-19-18(29-30-21)20(28-11-27-19)22(32)26-10-14-5-6-17-16(8-14)31(2)23(33)34-17;30-17-9-16-8-15(6-7-18(16)32-12-17)11-25-23(31)21-19-20(26-13-27-21)22(29-28-19)24-10-14-4-2-1-3-5-14;1-12-3-4-13(7-15(12)23)9-26-21-19-18(30-31(21)2)20(29-11-28-19)22(32)27-10-14-5-6-17(25)16(24)8-14;1-12(33)15-4-2-13(3-5-15)9-27-20-18-17(31-32-20)19(30-11-29-18)21(34)28-10-14-6-7-26-16(8-14)22(23,24)25;1-29-19-17(20(28-29)24-10-13-5-3-2-4-6-13)26-12-27-18(19)21(30)25-11-14-7-8-16(23)15(22)9-14/h5-8,10-11,14,17,32H,1,9,12-13H2,2-4H3,(H,29,35);3-8,12,14,28H,9-11,13H2,1-2H3,(H,29,34);2,4,6-9,11-12,18,30,34H,3,5,10H2,1H3,(H,31,36);3-9,11-12H,10H2,1-2H3,(H,26,33)(H2,29,30,31);3-8,11H,9-10H2,1-2H3,(H,26,32)(H2,25,29,30);1-8,13H,9-12H2,(H,25,31)(H2,24,28,29);3-8,11,26H,9-10H2,1-2H3,(H,27,32);6-8,11,13,15H,2-5,9-10H2,1H3,(H,28,34)(H2,27,31,32);2-9,12H,10-11H2,1H3,(H,24,28)(H,25,30)
InChIKeyBHECSNBHZSPSNI-UHFFFAOYSA-N
MW4217.94 g/mol
LogP35.00
Rot. Bonds56

About 3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide

3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide (PubChem CID 157347747) has the molecular formula C212H193Cl6F10N55O19 and a molecular weight of 4217.94 g/mol. Its IUPAC name is 3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide
PubChem CID157347747
Molecular FormulaC212H193Cl6F10N55O19
Molecular Weight4217.94 g/mol
Exact Mass4212.38
IUPAC Name3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide
SMILESC=C1COc2ccc(C(C)Nc3c4ncnc(C(=O)NCc5ccc(F)c(C)c5)c4nn3C)cc2C1.CC(=O)C1CCC(CNc2n[nH]c3c(C(=O)NCc4ccnc(C(F)(F)F)c4)ncnc23)CC1.CC(=O)c1ccc(C(C)Nc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.CC(=O)c1ccc2c(c1)CCC2Nc1c[nH]c2c(C(=O)NCc3ccnc(C(F)(F)F)c3)ncnc12.Cc1ccc(CNc2c3ncnc(C(=O)NCc4ccc(F)c(Cl)c4)c3nn2C)cc1Cl.Cc1ccc(CNc2cn(C)c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)cc1Cl.Cc1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc5oc(=O)n(C)c5c4)ncnc23)cc1Cl.Cn1nc(NCc2ccccc2)c2ncnc(C(=O)NCc3ccc(F)c(Cl)c3)c21.O=C1COc2ccc(CNC(=O)c3ncnc4c(NCc5ccccc5)n[nH]c34)cc2C1
InChIInChI=1S/C27H27FN6O2.C26H24ClN5O3.C25H21F3N6O2.C23H20ClFN6O2.C23H20ClN7O3.C23H20N6O3.C22H19Cl2FN6O.C22H24F3N7O2.C21H18ClFN6O/c1-15-9-20-11-19(6-8-22(20)36-13-15)17(3)32-26-24-23(33-34(26)4)25(31-14-30-24)27(35)29-12-18-5-7-21(28)16(2)10-18;1-15-3-4-17(8-20(15)27)10-28-21-12-32(2)25-23(21)30-14-31-24(25)26(34)29-11-16-5-6-22-18(7-16)9-19(33)13-35-22;1-13(35)15-2-4-17-16(9-15)3-5-18(17)34-19-11-30-22-21(19)32-12-33-23(22)24(36)31-10-14-6-7-29-20(8-14)25(26,27)28;1-12(15-4-6-16(7-5-15)13(2)32)29-22-20-19(30-31-22)21(28-11-27-20)23(33)26-10-14-3-8-18(25)17(24)9-14;1-12-3-4-13(7-15(12)24)9-25-21-19-18(29-30-21)20(28-11-27-19)22(32)26-10-14-5-6-17-16(8-14)31(2)23(33)34-17;30-17-9-16-8-15(6-7-18(16)32-12-17)11-25-23(31)21-19-20(26-13-27-21)22(29-28-19)24-10-14-4-2-1-3-5-14;1-12-3-4-13(7-15(12)23)9-26-21-19-18(30-31(21)2)20(29-11-28-19)22(32)27-10-14-5-6-17(25)16(24)8-14;1-12(33)15-4-2-13(3-5-15)9-27-20-18-17(31-32-20)19(30-11-29-18)21(34)28-10-14-6-7-26-16(8-14)22(23,24)25;1-29-19-17(20(28-29)24-10-13-5-3-2-4-6-13)26-12-27-18(19)21(30)25-11-14-7-8-16(23)15(22)9-14/h5-8,10-11,14,17,32H,1,9,12-13H2,2-4H3,(H,29,35);3-8,12,14,28H,9-11,13H2,1-2H3,(H,29,34);2,4,6-9,11-12,18,30,34H,3,5,10H2,1H3,(H,31,36);3-9,11-12H,10H2,1-2H3,(H,26,33)(H2,29,30,31);3-8,11H,9-10H2,1-2H3,(H,26,32)(H2,25,29,30);1-8,13H,9-12H2,(H,25,31)(H2,24,28,29);3-8,11,26H,9-10H2,1-2H3,(H,27,32);6-8,11,13,15H,2-5,9-10H2,1H3,(H,28,34)(H2,27,31,32);2-9,12H,10-11H2,1H3,(H,24,28)(H,25,30)
InChIKeyBHECSNBHZSPSNI-UHFFFAOYSA-N
XLogP35.00
TPSA965.05 Ų
H-Bond Donors23
H-Bond Acceptors60
Rotatable Bonds56
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004217.94
LogP ≤ 535.00
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1060

Analyze 3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide (CID 157347747) is 3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide is C=C1COc2ccc(C(C)Nc3c4ncnc(C(=O)NCc5ccc(F)c(C)c5)c4nn3C)cc2C1.CC(=O)C1CCC(CNc2n[nH]c3c(C(=O)NCc4ccnc(C(F)(F)F)c4)ncnc23)CC1.CC(=O)c1ccc(C(C)Nc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.CC(=O)c1ccc2c(c1)CCC2Nc1c[nH]c2c(C(=O)NCc3ccnc(C(F)(F)F)c3)ncnc12.Cc1ccc(CNc2c3ncnc(C(=O)NCc4ccc(F)c(Cl)c4)c3nn2C)cc1Cl.Cc1ccc(CNc2cn(C)c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)cc1Cl.Cc1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc5oc(=O)n(C)c5c4)ncnc23)cc1Cl.Cn1nc(NCc2ccccc2)c2ncnc(C(=O)NCc3ccc(F)c(Cl)c3)c21.O=C1COc2ccc(CNC(=O)c3ncnc4c(NCc5ccccc5)n[nH]c34)cc2C1.
What is the InChIKey of 3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide?
The InChIKey is BHECSNBHZSPSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2.C26H24ClN5O3.C25H21F3N6O2.C23H20ClFN6O2.C23H20ClN7O3.C23H20N6O3.C22H19Cl2FN6O.C22H24F3N7O2.C21H18ClFN6O/c1-15-9-20-11-19(6-8-22(20)36-13-15)17(3)32-26-24-23(33-34(26)4)25(31-14-30-24)27(35)29-12-18-5-7-21(28)16(2)10-18;1-15-3-4-17(8-20(15)27)10-28-21-12-32(2)25-23(21)30-14-31-24(25)26(34)29-11-16-5-6-22-18(7-16)9-19(33)13-35-22;1-13(35)15-2-4-17-16(9-15)3-5-18(17)34-19-11-30-22-21(19)32-12-33-23(22)24(36)31-10-14-6-7-29-20(8-14)25(26,27)28;1-12(15-4-6-16(7-5-15)13(2)32)29-22-20-19(30-31-22)21(28-11-27-20)23(33)26-10-14-3-8-18(25)17(24)9-14;1-12-3-4-13(7-15(12)24)9-25-21-19-18(29-30-21)20(28-11-27-19)22(32)26-10-14-5-6-17-16(8-14)31(2)23(33)34-17;30-17-9-16-8-15(6-7-18(16)32-12-17)11-25-23(31)21-19-20(26-13-27-21)22(29-28-19)24-10-14-4-2-1-3-5-14;1-12-3-4-13(7-15(12)23)9-26-21-19-18(30-31(21)2)20(29-11-28-19)22(32)27-10-14-5-6-17(25)16(24)8-14;1-12(33)15-4-2-13(3-5-15)9-27-20-18-17(31-32-20)19(30-11-29-18)21(34)28-10-14-6-7-26-16(8-14)22(23,24)25;1-29-19-17(20(28-29)24-10-13-5-3-2-4-6-13)26-12-27-18(19)21(30)25-11-14-7-8-16(23)15(22)9-14/h5-8,10-11,14,17,32H,1,9,12-13H2,2-4H3,(H,29,35);3-8,12,14,28H,9-11,13H2,1-2H3,(H,29,34);2,4,6-9,11-12,18,30,34H,3,5,10H2,1H3,(H,31,36);3-9,11-12H,10H2,1-2H3,(H,26,33)(H2,29,30,31);3-8,11H,9-10H2,1-2H3,(H,26,32)(H2,25,29,30);1-8,13H,9-12H2,(H,25,31)(H2,24,28,29);3-8,11,26H,9-10H2,1-2H3,(H,27,32);6-8,11,13,15H,2-5,9-10H2,1H3,(H,28,34)(H2,27,31,32);2-9,12H,10-11H2,1H3,(H,24,28)(H,25,30).
What are the key properties of 3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide?
3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide has a molecular weight of 4217.94 g/mol, XLogP of 35.00, 56 rotatable bonds, 23 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylcyclohexyl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[1-(4-acetylphenyl)ethylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(3-chloro-4-methylphenyl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-chromen-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 157347747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).