3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide

C182H157Cl7F11N53O15 — CID 158760300

About 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide

3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide (PubChem CID 158760300) has the molecular formula C182H157Cl7F11N53O15 and a molecular weight of 3783.76 g/mol. Its IUPAC name is 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide
• PubChem CID: 158760300
• Molecular Formula: C182H157Cl7F11N53O15
• Molecular Weight: 3783.76 g/mol
• Exact Mass: 3778.08
• IUPAC Name: 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide
• SMILES: C#Cc1cnc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1C.C=C(O)COc1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.CC(=O)C1CCC(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)CC1.CC(=O)c1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)nc1.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1ncnc2c(NCc3ccc(F)c(C(F)(F)F)c3)n[nH]c12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1ncnc2c(NCc3ccc(F)c(Cl)c3)n[nH]c12.COc1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.O=C(NCc1ccc(F)c(Cl)c1)c1ncnc2c(NCc3ccc(-c4ncn[nH]4)cc3)n[nH]c12
• InChI: InChI=1S/C26H22F4N6O2.C25H22ClFN6O2.C23H20ClFN6O3.C22H17ClFN9O.C22H17ClFN7O.C22H24ClFN6O2.C21H17ClFN7O2.C21H18ClFN6O2/c1-12-15(13(2)37)4-5-17-16(12)6-8-20(17)34-25(38)23-21-22(32-11-33-23)24(36-35-21)31-10-14-3-7-19(27)18(9-14)26(28,29)30;1-12-15(13(2)34)4-5-17-16(12)6-8-20(17)31-25(35)23-21-22(29-11-30-23)24(33-32-21)28-10-14-3-7-19(27)18(26)9-14;1-13(32)11-34-16-5-2-14(3-6-16)9-26-22-20-19(30-31-22)21(29-12-28-20)23(33)27-10-15-4-7-18(25)17(24)8-15;23-15-7-13(3-6-16(15)24)9-26-22(34)19-17-18(27-10-28-19)21(33-31-17)25-8-12-1-4-14(5-2-12)20-29-11-30-32-20;1-3-14-9-25-15(6-12(14)2)10-26-21-19-18(30-31-21)20(29-11-28-19)22(32)27-8-13-4-5-17(24)16(23)7-13;1-12(31)15-5-2-13(3-6-15)9-25-21-19-18(29-30-21)20(28-11-27-19)22(32)26-10-14-4-7-17(24)16(23)8-14;1-11(31)13-3-4-14(24-8-13)9-25-20-18-17(29-30-20)19(28-10-27-18)21(32)26-7-12-2-5-16(23)15(22)6-12;1-31-14-5-2-12(3-6-14)9-24-20-18-17(28-29-20)19(27-11-26-18)21(30)25-10-13-4-7-16(23)15(22)8-13/h3-5,7,9,11,20H,6,8,10H2,1-2H3,(H,34,38)(H2,31,35,36);3-5,7,9,11,20H,6,8,10H2,1-2H3,(H,31,35)(H2,28,32,33);2-8,12,32H,1,9-11H2,(H,27,33)(H2,26,30,31);1-7,10-11H,8-9H2,(H,26,34)(H2,25,31,33)(H,29,30,32);1,4-7,9,11H,8,10H2,2H3,(H,27,32)(H2,26,30,31);4,7-8,11,13,15H,2-3,5-6,9-10H2,1H3,(H,26,32)(H2,25,29,30);2-6,8,10H,7,9H2,1H3,(H,26,32)(H2,25,29,30);2-8,11H,9-10H2,1H3,(H,25,30)(H2,24,28,29)/t2*20-;;;;;;/m00....../s1
• InChIKey: IOOSCFAHCPDPLW-MAIZNNAKSA-N
• XLogP: 31.58
• TPSA: 939.04 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 51
• Rotatable Bonds: 55
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3783.76
LogP ≤ 5	31.58
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide?

The IUPAC name of 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide (CID 158760300) is 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide.

What is the SMILES notation for 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide?

The canonical SMILES for 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide is C#Cc1cnc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1C.C=C(O)COc1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.CC(=O)C1CCC(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)CC1.CC(=O)c1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)nc1.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1ncnc2c(NCc3ccc(F)c(C(F)(F)F)c3)n[nH]c12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1ncnc2c(NCc3ccc(F)c(Cl)c3)n[nH]c12.COc1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.O=C(NCc1ccc(F)c(Cl)c1)c1ncnc2c(NCc3ccc(-c4ncn[nH]4)cc3)n[nH]c12.

What is the InChIKey of 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide?

The InChIKey is IOOSCFAHCPDPLW-MAIZNNAKSA-N. The full InChI is InChI=1S/C26H22F4N6O2.C25H22ClFN6O2.C23H20ClFN6O3.C22H17ClFN9O.C22H17ClFN7O.C22H24ClFN6O2.C21H17ClFN7O2.C21H18ClFN6O2/c1-12-15(13(2)37)4-5-17-16(12)6-8-20(17)34-25(38)23-21-22(32-11-33-23)24(36-35-21)31-10-14-3-7-19(27)18(9-14)26(28,29)30;1-12-15(13(2)34)4-5-17-16(12)6-8-20(17)31-25(35)23-21-22(29-11-30-23)24(33-32-21)28-10-14-3-7-19(27)18(26)9-14;1-13(32)11-34-16-5-2-14(3-6-16)9-26-22-20-19(30-31-22)21(29-12-28-20)23(33)27-10-15-4-7-18(25)17(24)8-15;23-15-7-13(3-6-16(15)24)9-26-22(34)19-17-18(27-10-28-19)21(33-31-17)25-8-12-1-4-14(5-2-12)20-29-11-30-32-20;1-3-14-9-25-15(6-12(14)2)10-26-21-19-18(30-31-21)20(29-11-28-19)22(32)27-8-13-4-5-17(24)16(23)7-13;1-12(31)15-5-2-13(3-6-15)9-25-21-19-18(29-30-21)20(28-11-27-19)22(32)26-10-14-4-7-17(24)16(23)8-14;1-11(31)13-3-4-14(24-8-13)9-25-20-18-17(29-30-20)19(28-10-27-18)21(32)26-7-12-2-5-16(23)15(22)6-12;1-31-14-5-2-12(3-6-14)9-24-20-18-17(28-29-20)19(27-11-26-18)21(30)25-10-13-4-7-16(23)15(22)8-13/h3-5,7,9,11,20H,6,8,10H2,1-2H3,(H,34,38)(H2,31,35,36);3-5,7,9,11,20H,6,8,10H2,1-2H3,(H,31,35)(H2,28,32,33);2-8,12,32H,1,9-11H2,(H,27,33)(H2,26,30,31);1-7,10-11H,8-9H2,(H,26,34)(H2,25,31,33)(H,29,30,32);1,4-7,9,11H,8,10H2,2H3,(H,27,32)(H2,26,30,31);4,7-8,11,13,15H,2-3,5-6,9-10H2,1H3,(H,26,32)(H2,25,29,30);2-6,8,10H,7,9H2,1H3,(H,26,32)(H2,25,29,30);2-8,11H,9-10H2,1H3,(H,25,30)(H2,24,28,29)/t2*20-;;;;;;/m00....../s1.

What are the key properties of 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide?

3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide has a molecular weight of 3783.76 g/mol, XLogP of 31.58, 55 rotatable bonds, 26 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-acetylcyclohexyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[(3-chloro-4-fluorophenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(5-acetyl-2-pyridinyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(5-ethynyl-4-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(2-hydroxyprop-2-enoxy)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 158760300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).