4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile

C90H83F3N18O4 — CID 159742136

IUPAC4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
SMILESCOc1ccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(C#N)cc4)C5)CC3)[nH]c2C)cn1.Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3ccc(C#N)cc3)C4)CC2)nc1-c1ccc(OC(C)F)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc6c(c5)OC(F)(F)O6)c(C)[nH]4)CC3)C2)cc1
InChIInChI=1S/C31H29FN6O.C30H27F2N5O2.C29H27N7O/c1-19-29(23-7-9-26(10-8-23)39-20(2)32)37-30(36-19)24-11-13-38(14-12-24)31-27-15-25(16-28(27)34-18-35-31)22-5-3-21(17-33)4-6-22;1-17-3-5-19(6-4-17)22-13-23-24(14-22)33-16-34-29(23)37-11-9-20(10-12-37)28-35-18(2)27(36-28)21-7-8-25-26(15-21)39-30(31,32)38-25;1-18-27(22-7-8-26(37-2)31-16-22)35-28(34-18)21-9-11-36(12-10-21)29-24-13-23(14-25(24)32-17-33-29)20-5-3-19(15-30)4-6-20/h3-10,15,18,20,24H,11-14,16H2,1-2H3,(H,36,37);3-8,13,15-16,20H,9-12,14H2,1-2H3,(H,35,36);3-8,13,16-17,21H,9-12,14H2,1-2H3,(H,34,35)
InChIKeyNCPASJAJUXKIIR-UHFFFAOYSA-N
MW1537.77 g/mol
LogP17.44
Rot. Bonds15

About 4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile

4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile (PubChem CID 159742136) has the molecular formula C90H83F3N18O4 and a molecular weight of 1537.77 g/mol. Its IUPAC name is 4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
PubChem CID159742136
Molecular FormulaC90H83F3N18O4
Molecular Weight1537.77 g/mol
Exact Mass1536.68
IUPAC Name4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
SMILESCOc1ccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(C#N)cc4)C5)CC3)[nH]c2C)cn1.Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3ccc(C#N)cc3)C4)CC2)nc1-c1ccc(OC(C)F)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc6c(c5)OC(F)(F)O6)c(C)[nH]4)CC3)C2)cc1
InChIInChI=1S/C31H29FN6O.C30H27F2N5O2.C29H27N7O/c1-19-29(23-7-9-26(10-8-23)39-20(2)32)37-30(36-19)24-11-13-38(14-12-24)31-27-15-25(16-28(27)34-18-35-31)22-5-3-21(17-33)4-6-22;1-17-3-5-19(6-4-17)22-13-23-24(14-22)33-16-34-29(23)37-11-9-20(10-12-37)28-35-18(2)27(36-28)21-7-8-25-26(15-21)39-30(31,32)38-25;1-18-27(22-7-8-26(37-2)31-16-22)35-28(34-18)21-9-11-36(12-10-21)29-24-13-23(14-25(24)32-17-33-29)20-5-3-19(15-30)4-6-20/h3-10,15,18,20,24H,11-14,16H2,1-2H3,(H,36,37);3-8,13,15-16,20H,9-12,14H2,1-2H3,(H,35,36);3-8,13,16-17,21H,9-12,14H2,1-2H3,(H,34,35)
InChIKeyNCPASJAJUXKIIR-UHFFFAOYSA-N
XLogP17.44
TPSA270.49 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001537.77
LogP ≤ 517.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile with MolForge

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Related Compounds

4-[4-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413840
4-[4-[5-(1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413869
4-[4-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413962
4-[4-[4-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413968
4-[4-[5-(1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118414180
4-[4-[4-[5-(3,4-dimethoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413830
4-[4-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413879
4-[4-[4-[5-(1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413920
4-[4-[5-(1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-(6-methoxy-3-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413956
4-[4-[4-[5-(1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413957
4-[4-[5-(1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118414251
4-N-(1,3-benzodioxol-5-yl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;1-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrimidin-2-yl]-2-methylbenzimidazole
CID 118387116

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
The IUPAC name of 4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile (CID 159742136) is 4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile.
What is the SMILES notation for 4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
The canonical SMILES for 4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile is COc1ccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4ccc(C#N)cc4)C5)CC3)[nH]c2C)cn1.Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3ccc(C#N)cc3)C4)CC2)nc1-c1ccc(OC(C)F)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc6c(c5)OC(F)(F)O6)c(C)[nH]4)CC3)C2)cc1.
What is the InChIKey of 4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
The InChIKey is NCPASJAJUXKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN6O.C30H27F2N5O2.C29H27N7O/c1-19-29(23-7-9-26(10-8-23)39-20(2)32)37-30(36-19)24-11-13-38(14-12-24)31-27-15-25(16-28(27)34-18-35-31)22-5-3-21(17-33)4-6-22;1-17-3-5-19(6-4-17)22-13-23-24(14-22)33-16-34-29(23)37-11-9-20(10-12-37)28-35-18(2)27(36-28)21-7-8-25-26(15-21)39-30(31,32)38-25;1-18-27(22-7-8-26(37-2)31-16-22)35-28(34-18)21-9-11-36(12-10-21)29-24-13-23(14-25(24)32-17-33-29)20-5-3-19(15-30)4-6-20/h3-10,15,18,20,24H,11-14,16H2,1-2H3,(H,36,37);3-8,13,15-16,20H,9-12,14H2,1-2H3,(H,35,36);3-8,13,16-17,21H,9-12,14H2,1-2H3,(H,34,35).
What are the key properties of 4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile has a molecular weight of 1537.77 g/mol, XLogP of 17.44, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile is sourced from PubChem (CID 159742136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).