N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C196H181Cl5F7N54O23S+ — CID 157270017

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESC=C(O)C1CCC(CNc2n[nH]c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)CC1.C=C(O)c1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1C.C=S1CCN(C(=O)CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)C1.CN(C)C(=O)CNc1n[nH]c2c(C(=O)NCc3ccc(F)c(Cl)c3)ncnc12.C[n+]1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.Cc1[nH]nc2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.Cc1c(F)cc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1F.Cc1ccc(C2CCN(c3c[nH]c4c(C(=O)NCc5ccc6c(c5)CC(=O)CO6)ncnc34)C2=O)cc1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)CCc5ccccc5)c[nH]c34)cc2C1
InChIInChI=1S/C28H25N5O4.C26H23N5O4.C25H28N6O4.C23H20ClFN6O2.C21H16ClF3N6O.C20H17ClFN7O.C19H19ClFN7O2S.C17H17ClFN7O2.C17H15N5O3/c1-16-2-5-18(6-3-16)21-8-9-33(28(21)36)22-13-29-25-24(22)31-15-32-26(25)27(35)30-12-17-4-7-23-19(10-17)11-20(34)14-37-23;32-19-11-18-10-17(6-8-21(18)35-14-19)12-28-26(34)25-24-23(29-15-30-25)20(13-27-24)31-22(33)9-7-16-4-2-1-3-5-16;1-14(32)17-5-2-15(3-6-17)10-26-24-22-21(30-31-24)23(29-13-28-22)25(34)27-11-16-4-7-20-18(8-16)9-19(33)12-35-20;1-12-7-14(3-5-16(12)13(2)32)9-26-22-20-19(30-31-22)21(29-11-28-20)23(33)27-10-15-4-6-18(25)17(24)8-15;1-10-15(24)5-12(6-16(10)25)8-26-20-18-17(30-31-20)19(29-9-28-18)21(32)27-7-11-2-3-14(23)13(22)4-11;1-29-6-4-12(5-7-29)9-23-19-17-16(27-28-19)18(26-11-25-17)20(30)24-10-13-2-3-15(22)14(21)8-13;1-31-5-4-28(10-31)14(29)8-22-18-16-15(26-27-18)17(25-9-24-16)19(30)23-7-11-2-3-13(21)12(20)6-11;1-26(2)12(27)7-20-16-14-13(24-25-16)15(23-8-22-14)17(28)21-6-9-3-4-11(19)10(18)5-9;1-9-14-15(22-21-9)16(20-8-19-14)17(24)18-6-10-2-3-13-11(4-10)5-12(23)7-25-13/h2-7,10,13,15,21,29H,8-9,11-12,14H2,1H3,(H,30,35);1-6,8,10,13,15,27H,7,9,11-12,14H2,(H,28,34)(H,31,33);4,7-8,13,15,17,32H,1-3,5-6,9-12H2,(H,27,34)(H2,26,30,31);3-8,11,32H,2,9-10H2,1H3,(H,27,33)(H2,26,30,31);2-6,9H,7-8H2,1H3,(H,27,32)(H2,26,30,31);2-8,11H,9-10H2,1H3,(H2-,23,24,25,26,27,28,30);2-3,6,9H,1,4-5,7-8,10H2,(H,23,30)(H2,22,26,27);3-5,8H,6-7H2,1-2H3,(H,21,28)(H2,20,24,25);2-4,8H,5-7H2,1H3,(H,18,24)(H,21,22)/p+1
InChIKeyAYKTXSHRURRBKW-UHFFFAOYSA-O
MW4003.28 g/mol
LogP25.23
Rot. Bonds53

About N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 157270017) has the molecular formula C196H181Cl5F7N54O23S+ and a molecular weight of 4003.28 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID157270017
Molecular FormulaC196H181Cl5F7N54O23S+
Molecular Weight4003.28 g/mol
Exact Mass3998.27
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESC=C(O)C1CCC(CNc2n[nH]c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)CC1.C=C(O)c1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1C.C=S1CCN(C(=O)CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)C1.CN(C)C(=O)CNc1n[nH]c2c(C(=O)NCc3ccc(F)c(Cl)c3)ncnc12.C[n+]1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.Cc1[nH]nc2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.Cc1c(F)cc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1F.Cc1ccc(C2CCN(c3c[nH]c4c(C(=O)NCc5ccc6c(c5)CC(=O)CO6)ncnc34)C2=O)cc1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)CCc5ccccc5)c[nH]c34)cc2C1
InChIInChI=1S/C28H25N5O4.C26H23N5O4.C25H28N6O4.C23H20ClFN6O2.C21H16ClF3N6O.C20H17ClFN7O.C19H19ClFN7O2S.C17H17ClFN7O2.C17H15N5O3/c1-16-2-5-18(6-3-16)21-8-9-33(28(21)36)22-13-29-25-24(22)31-15-32-26(25)27(35)30-12-17-4-7-23-19(10-17)11-20(34)14-37-23;32-19-11-18-10-17(6-8-21(18)35-14-19)12-28-26(34)25-24-23(29-15-30-25)20(13-27-24)31-22(33)9-7-16-4-2-1-3-5-16;1-14(32)17-5-2-15(3-6-17)10-26-24-22-21(30-31-24)23(29-13-28-22)25(34)27-11-16-4-7-20-18(8-16)9-19(33)12-35-20;1-12-7-14(3-5-16(12)13(2)32)9-26-22-20-19(30-31-22)21(29-11-28-20)23(33)27-10-15-4-6-18(25)17(24)8-15;1-10-15(24)5-12(6-16(10)25)8-26-20-18-17(30-31-20)19(29-9-28-18)21(32)27-7-11-2-3-14(23)13(22)4-11;1-29-6-4-12(5-7-29)9-23-19-17-16(27-28-19)18(26-11-25-17)20(30)24-10-13-2-3-15(22)14(21)8-13;1-31-5-4-28(10-31)14(29)8-22-18-16-15(26-27-18)17(25-9-24-16)19(30)23-7-11-2-3-13(21)12(20)6-11;1-26(2)12(27)7-20-16-14-13(24-25-16)15(23-8-22-14)17(28)21-6-9-3-4-11(19)10(18)5-9;1-9-14-15(22-21-9)16(20-8-19-14)17(24)18-6-10-2-3-13-11(4-10)5-12(23)7-25-13/h2-7,10,13,15,21,29H,8-9,11-12,14H2,1H3,(H,30,35);1-6,8,10,13,15,27H,7,9,11-12,14H2,(H,28,34)(H,31,33);4,7-8,13,15,17,32H,1-3,5-6,9-12H2,(H,27,34)(H2,26,30,31);3-8,11,32H,2,9-10H2,1H3,(H,27,33)(H2,26,30,31);2-6,9H,7-8H2,1H3,(H,27,32)(H2,26,30,31);2-8,11H,9-10H2,1H3,(H2-,23,24,25,26,27,28,30);2-3,6,9H,1,4-5,7-8,10H2,(H,23,30)(H2,22,26,27);3-5,8H,6-7H2,1-2H3,(H,21,28)(H2,20,24,25);2-4,8H,5-7H2,1H3,(H,18,24)(H,21,22)/p+1
InChIKeyAYKTXSHRURRBKW-UHFFFAOYSA-O
XLogP25.23
TPSA1038.01 Ų
H-Bond Donors27
H-Bond Acceptors54
Rotatable Bonds53
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004003.28
LogP ≤ 525.23
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1054

Analyze N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 157270017) is N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is C=C(O)C1CCC(CNc2n[nH]c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)CC1.C=C(O)c1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1C.C=S1CCN(C(=O)CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)C1.CN(C)C(=O)CNc1n[nH]c2c(C(=O)NCc3ccc(F)c(Cl)c3)ncnc12.C[n+]1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.Cc1[nH]nc2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.Cc1c(F)cc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1F.Cc1ccc(C2CCN(c3c[nH]c4c(C(=O)NCc5ccc6c(c5)CC(=O)CO6)ncnc34)C2=O)cc1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)CCc5ccccc5)c[nH]c34)cc2C1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is AYKTXSHRURRBKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H25N5O4.C26H23N5O4.C25H28N6O4.C23H20ClFN6O2.C21H16ClF3N6O.C20H17ClFN7O.C19H19ClFN7O2S.C17H17ClFN7O2.C17H15N5O3/c1-16-2-5-18(6-3-16)21-8-9-33(28(21)36)22-13-29-25-24(22)31-15-32-26(25)27(35)30-12-17-4-7-23-19(10-17)11-20(34)14-37-23;32-19-11-18-10-17(6-8-21(18)35-14-19)12-28-26(34)25-24-23(29-15-30-25)20(13-27-24)31-22(33)9-7-16-4-2-1-3-5-16;1-14(32)17-5-2-15(3-6-17)10-26-24-22-21(30-31-24)23(29-13-28-22)25(34)27-11-16-4-7-20-18(8-16)9-19(33)12-35-20;1-12-7-14(3-5-16(12)13(2)32)9-26-22-20-19(30-31-22)21(29-11-28-20)23(33)27-10-15-4-6-18(25)17(24)8-15;1-10-15(24)5-12(6-16(10)25)8-26-20-18-17(30-31-20)19(29-9-28-18)21(32)27-7-11-2-3-14(23)13(22)4-11;1-29-6-4-12(5-7-29)9-23-19-17-16(27-28-19)18(26-11-25-17)20(30)24-10-13-2-3-15(22)14(21)8-13;1-31-5-4-28(10-31)14(29)8-22-18-16-15(26-27-18)17(25-9-24-16)19(30)23-7-11-2-3-13(21)12(20)6-11;1-26(2)12(27)7-20-16-14-13(24-25-16)15(23-8-22-14)17(28)21-6-9-3-4-11(19)10(18)5-9;1-9-14-15(22-21-9)16(20-8-19-14)17(24)18-6-10-2-3-13-11(4-10)5-12(23)7-25-13/h2-7,10,13,15,21,29H,8-9,11-12,14H2,1H3,(H,30,35);1-6,8,10,13,15,27H,7,9,11-12,14H2,(H,28,34)(H,31,33);4,7-8,13,15,17,32H,1-3,5-6,9-12H2,(H,27,34)(H2,26,30,31);3-8,11,32H,2,9-10H2,1H3,(H,27,33)(H2,26,30,31);2-6,9H,7-8H2,1H3,(H,27,32)(H2,26,30,31);2-8,11H,9-10H2,1H3,(H2-,23,24,25,26,27,28,30);2-3,6,9H,1,4-5,7-8,10H2,(H,23,30)(H2,22,26,27);3-5,8H,6-7H2,1-2H3,(H,21,28)(H2,20,24,25);2-4,8H,5-7H2,1H3,(H,18,24)(H,21,22)/p+1.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 4003.28 g/mol, XLogP of 25.23, 53 rotatable bonds, 27 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(dimethylamino)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-3-methylphenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(1-methylidene-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[[4-(1-hydroxyethenyl)cyclohexyl]methylamino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 157270017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).