2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C225H240F2N64 — CID 167553068

IUPAC2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCCN1CCC2=NC(c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)=NC2C1.CCN1CCc2c(nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3F)n2C)C1.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)c(C)n2C1.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3F)[nH]c2C1.CCN1CCc2nn(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)cc2C1.CCN1CCn2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)c(C)c2C1.CCN1CCn2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)cc2C1.Cn1nc(-c2ccc(-c3n[nH]c4c3CNCC4)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C29H31FN8.2C29H32N8.C28H29FN8.3C28H30N8.C26H26N8/c1-4-38-12-11-25-24(16-38)32-29(36(25)2)20-9-7-19(13-22(20)30)28-33-26(37(3)35-28)14-18-8-10-23-21(15-31-34-23)27(18)17-5-6-17;1-4-36-13-14-37-25(17-36)18(2)28(33-37)20-7-9-21(10-8-20)29-31-26(35(3)34-29)15-22-11-12-24-23(16-30-32-24)27(22)19-5-6-19;1-4-36-14-13-25-31-28(18(2)37(25)17-36)20-7-9-21(10-8-20)29-32-26(35(3)34-29)15-22-11-12-24-23(16-30-33-24)27(22)19-5-6-19;1-3-37-11-10-23-24(15-37)32-28(31-23)19-8-6-18(12-21(19)29)27-33-25(36(2)35-27)13-17-7-9-22-20(14-30-34-22)26(17)16-4-5-16;1-3-35-12-13-36-22(17-35)15-25(32-36)18-4-8-20(9-5-18)28-30-26(34(2)33-28)14-21-10-11-24-23(16-29-31-24)27(21)19-6-7-19;1-3-35-13-12-24-21(16-35)17-36(32-24)22-9-6-19(7-10-22)28-30-26(34(2)33-28)14-20-8-11-25-23(15-29-31-25)27(20)18-4-5-18;1-3-36-13-12-23-24(16-36)31-27(30-23)18-6-8-19(9-7-18)28-32-25(35(2)34-28)14-20-10-11-22-21(15-29-33-22)26(20)17-4-5-17;1-34-23(12-18-8-9-21-19(14-28-30-21)24(18)15-2-3-15)29-26(33-34)17-6-4-16(5-7-17)25-20-13-27-11-10-22(20)31-32-25/h7-10,13,15,17H,4-6,11-12,14,16H2,1-3H3,(H,31,34);7-12,16,19H,4-6,13-15,17H2,1-3H3,(H,30,32);7-12,16,19H,4-6,13-15,17H2,1-3H3,(H,30,33);6-9,12,14,16H,3-5,10-11,13,15H2,1-2H3,(H,30,34)(H,31,32);4-5,8-11,15-16,19H,3,6-7,12-14,17H2,1-2H3,(H,29,31);6-11,15,17-18H,3-5,12-14,16H2,1-2H3,(H,29,31);6-11,15,17,24H,3-5,12-14,16H2,1-2H3,(H,29,33);4-9,14-15,27H,2-3,10-13H2,1H3,(H,28,30)(H,31,32)
InChIKeyCQURMCNHWWSETJ-UHFFFAOYSA-N
MW3878.84 g/mol
LogP36.05
Rot. Bonds47

About 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 167553068) has the molecular formula C225H240F2N64 and a molecular weight of 3878.84 g/mol. Its IUPAC name is 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID167553068
Molecular FormulaC225H240F2N64
Molecular Weight3878.84 g/mol
Exact Mass3876.07
IUPAC Name2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCCN1CCC2=NC(c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)=NC2C1.CCN1CCc2c(nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3F)n2C)C1.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)c(C)n2C1.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3F)[nH]c2C1.CCN1CCc2nn(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)cc2C1.CCN1CCn2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)c(C)c2C1.CCN1CCn2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)cc2C1.Cn1nc(-c2ccc(-c3n[nH]c4c3CNCC4)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C29H31FN8.2C29H32N8.C28H29FN8.3C28H30N8.C26H26N8/c1-4-38-12-11-25-24(16-38)32-29(36(25)2)20-9-7-19(13-22(20)30)28-33-26(37(3)35-28)14-18-8-10-23-21(15-31-34-23)27(18)17-5-6-17;1-4-36-13-14-37-25(17-36)18(2)28(33-37)20-7-9-21(10-8-20)29-31-26(35(3)34-29)15-22-11-12-24-23(16-30-32-24)27(22)19-5-6-19;1-4-36-14-13-25-31-28(18(2)37(25)17-36)20-7-9-21(10-8-20)29-32-26(35(3)34-29)15-22-11-12-24-23(16-30-33-24)27(22)19-5-6-19;1-3-37-11-10-23-24(15-37)32-28(31-23)19-8-6-18(12-21(19)29)27-33-25(36(2)35-27)13-17-7-9-22-20(14-30-34-22)26(17)16-4-5-16;1-3-35-12-13-36-22(17-35)15-25(32-36)18-4-8-20(9-5-18)28-30-26(34(2)33-28)14-21-10-11-24-23(16-29-31-24)27(21)19-6-7-19;1-3-35-13-12-24-21(16-35)17-36(32-24)22-9-6-19(7-10-22)28-30-26(34(2)33-28)14-20-8-11-25-23(15-29-31-25)27(20)18-4-5-18;1-3-36-13-12-23-24(16-36)31-27(30-23)18-6-8-19(9-7-18)28-32-25(35(2)34-28)14-20-10-11-22-21(15-29-33-22)26(20)17-4-5-17;1-34-23(12-18-8-9-21-19(14-28-30-21)24(18)15-2-3-15)29-26(33-34)17-6-4-16(5-7-17)25-20-13-27-11-10-22(20)31-32-25/h7-10,13,15,17H,4-6,11-12,14,16H2,1-3H3,(H,31,34);7-12,16,19H,4-6,13-15,17H2,1-3H3,(H,30,32);7-12,16,19H,4-6,13-15,17H2,1-3H3,(H,30,33);6-9,12,14,16H,3-5,10-11,13,15H2,1-2H3,(H,30,34)(H,31,32);4-5,8-11,15-16,19H,3,6-7,12-14,17H2,1-2H3,(H,29,31);6-11,15,17-18H,3-5,12-14,16H2,1-2H3,(H,29,31);6-11,15,17,24H,3-5,12-14,16H2,1-2H3,(H,29,33);4-9,14-15,27H,2-3,10-13H2,1H3,(H,28,30)(H,31,32)
InChIKeyCQURMCNHWWSETJ-UHFFFAOYSA-N
XLogP36.05
TPSA681.01 Ų
H-Bond Donors11
H-Bond Acceptors54
Rotatable Bonds47
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003878.84
LogP ≤ 536.05
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1054

Analyze 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine with MolForge

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What is the IUPAC name of 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 167553068) is 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is CCN1CCC2=NC(c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)=NC2C1.CCN1CCc2c(nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3F)n2C)C1.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)c(C)n2C1.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3F)[nH]c2C1.CCN1CCc2nn(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)cc2C1.CCN1CCn2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)c(C)c2C1.CCN1CCn2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)cc2C1.Cn1nc(-c2ccc(-c3n[nH]c4c3CNCC4)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is CQURMCNHWWSETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN8.2C29H32N8.C28H29FN8.3C28H30N8.C26H26N8/c1-4-38-12-11-25-24(16-38)32-29(36(25)2)20-9-7-19(13-22(20)30)28-33-26(37(3)35-28)14-18-8-10-23-21(15-31-34-23)27(18)17-5-6-17;1-4-36-13-14-37-25(17-36)18(2)28(33-37)20-7-9-21(10-8-20)29-31-26(35(3)34-29)15-22-11-12-24-23(16-30-32-24)27(22)19-5-6-19;1-4-36-14-13-25-31-28(18(2)37(25)17-36)20-7-9-21(10-8-20)29-32-26(35(3)34-29)15-22-11-12-24-23(16-30-33-24)27(22)19-5-6-19;1-3-37-11-10-23-24(15-37)32-28(31-23)19-8-6-18(12-21(19)29)27-33-25(36(2)35-27)13-17-7-9-22-20(14-30-34-22)26(17)16-4-5-16;1-3-35-12-13-36-22(17-35)15-25(32-36)18-4-8-20(9-5-18)28-30-26(34(2)33-28)14-21-10-11-24-23(16-29-31-24)27(21)19-6-7-19;1-3-35-13-12-24-21(16-35)17-36(32-24)22-9-6-19(7-10-22)28-30-26(34(2)33-28)14-20-8-11-25-23(15-29-31-25)27(20)18-4-5-18;1-3-36-13-12-23-24(16-36)31-27(30-23)18-6-8-19(9-7-18)28-32-25(35(2)34-28)14-20-10-11-22-21(15-29-33-22)26(20)17-4-5-17;1-34-23(12-18-8-9-21-19(14-28-30-21)24(18)15-2-3-15)29-26(33-34)17-6-4-16(5-7-17)25-20-13-27-11-10-22(20)31-32-25/h7-10,13,15,17H,4-6,11-12,14,16H2,1-3H3,(H,31,34);7-12,16,19H,4-6,13-15,17H2,1-3H3,(H,30,32);7-12,16,19H,4-6,13-15,17H2,1-3H3,(H,30,33);6-9,12,14,16H,3-5,10-11,13,15H2,1-2H3,(H,30,34)(H,31,32);4-5,8-11,15-16,19H,3,6-7,12-14,17H2,1-2H3,(H,29,31);6-11,15,17-18H,3-5,12-14,16H2,1-2H3,(H,29,31);6-11,15,17,24H,3-5,12-14,16H2,1-2H3,(H,29,33);4-9,14-15,27H,2-3,10-13H2,1H3,(H,28,30)(H,31,32).
What are the key properties of 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 3878.84 g/mol, XLogP of 36.05, 47 rotatable bonds, 11 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-6-ethyl-3-methyl-7,8-dihydro-5H-imidazo[1,2-c]pyrimidine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 167553068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).