6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine

C89H85F5N16O — CID 160642558

IUPAC6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine
SMILESC#Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(C)c(OC)c5)c(C)[nH]4)CC3)C2)cc1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(C(F)(F)F)c3)C4)CC2)nc1-c1ccccc1.Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3cnn(C(C)F)c3)C4)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C32H31N5O.C30H27F3N4.C27H27F2N7/c1-5-22-7-10-23(11-8-22)26-16-27-28(17-26)33-19-34-32(27)37-14-12-24(13-15-37)31-35-21(3)30(36-31)25-9-6-20(2)29(18-25)38-4;1-19-28(20-6-3-2-4-7-20)36-29(35-19)21-11-14-37(15-12-21)27-10-13-34-26-18-23(17-25(26)27)22-8-5-9-24(16-22)30(31,32)33;1-16-25(18-3-5-22(29)6-4-18)34-26(33-16)19-7-9-35(10-8-19)27-23-11-20(12-24(23)30-15-31-27)21-13-32-36(14-21)17(2)28/h1,6-11,16,18-19,24H,12-15,17H2,2-4H3,(H,35,36);2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,35,36);3-6,11,13-15,17,19H,7-10,12H2,1-2H3,(H,33,34)
InChIKeyRJJFQFJBRYYCLV-UHFFFAOYSA-N
MW1489.76 g/mol
LogP18.71
Rot. Bonds14

About 6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine

6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine (PubChem CID 160642558) has the molecular formula C89H85F5N16O and a molecular weight of 1489.76 g/mol. Its IUPAC name is 6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine
PubChem CID160642558
Molecular FormulaC89H85F5N16O
Molecular Weight1489.76 g/mol
Exact Mass1488.70
IUPAC Name6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine
SMILESC#Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(C)c(OC)c5)c(C)[nH]4)CC3)C2)cc1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(C(F)(F)F)c3)C4)CC2)nc1-c1ccccc1.Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3cnn(C(C)F)c3)C4)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C32H31N5O.C30H27F3N4.C27H27F2N7/c1-5-22-7-10-23(11-8-22)26-16-27-28(17-26)33-19-34-32(27)37-14-12-24(13-15-37)31-35-21(3)30(36-31)25-9-6-20(2)29(18-25)38-4;1-19-28(20-6-3-2-4-7-20)36-29(35-19)21-11-14-37(15-12-21)27-10-13-34-26-18-23(17-25(26)27)22-8-5-9-24(16-22)30(31,32)33;1-16-25(18-3-5-22(29)6-4-18)34-26(33-16)19-7-9-35(10-8-19)27-23-11-20(12-24(23)30-15-31-27)21-13-32-36(14-21)17(2)28/h1,6-11,16,18-19,24H,12-15,17H2,2-4H3,(H,35,36);2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,35,36);3-6,11,13-15,17,19H,7-10,12H2,1-2H3,(H,33,34)
InChIKeyRJJFQFJBRYYCLV-UHFFFAOYSA-N
XLogP18.71
TPSA187.26 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001489.76
LogP ≤ 518.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine with MolForge

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Related Compounds

4-[4-[5-[3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413884
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[5-(3-methoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118414052
4-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7-[[2-[1-[6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-methylpiperidin-4-yl]-4-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 130455743
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-[6-[5-(6-methylpyridin-2-yl)-2-[[4-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(trifluoromethoxy)aniline
CID 132035437
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 136937356
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridine
CID 136944581
3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136946238
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 136946239
3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136946258
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 136946346
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 136947702
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridine
CID 137038961

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine (CID 160642558) is 6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine is C#Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc(C)c(OC)c5)c(C)[nH]4)CC3)C2)cc1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(C(F)(F)F)c3)C4)CC2)nc1-c1ccccc1.Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3cnn(C(C)F)c3)C4)CC2)nc1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine?
The InChIKey is RJJFQFJBRYYCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O.C30H27F3N4.C27H27F2N7/c1-5-22-7-10-23(11-8-22)26-16-27-28(17-26)33-19-34-32(27)37-14-12-24(13-15-37)31-35-21(3)30(36-31)25-9-6-20(2)29(18-25)38-4;1-19-28(20-6-3-2-4-7-20)36-29(35-19)21-11-14-37(15-12-21)27-10-13-34-26-18-23(17-25(26)27)22-8-5-9-24(16-22)30(31,32)33;1-16-25(18-3-5-22(29)6-4-18)34-26(33-16)19-7-9-35(10-8-19)27-23-11-20(12-24(23)30-15-31-27)21-13-32-36(14-21)17(2)28/h1,6-11,16,18-19,24H,12-15,17H2,2-4H3,(H,35,36);2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,35,36);3-6,11,13-15,17,19H,7-10,12H2,1-2H3,(H,33,34).
What are the key properties of 6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine?
6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine has a molecular weight of 1489.76 g/mol, XLogP of 18.71, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)phenyl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 160642558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).