6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C82H84F5N21O3S — CID 161353697

IUPAC6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(C)s6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1.COc1cccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4cnn(C(C)F)c4)C5)CC3)[nH]c2C)c1.Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3cnn(C(C)F)c3)C4)CC2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C28H27F4N7O.C28H30FN7O.C26H27N7OS/c1-16-25(18-3-5-22(6-4-18)40-28(30,31)32)37-26(36-16)19-7-9-38(10-8-19)27-23-11-20(12-24(23)33-15-34-27)21-13-35-39(14-21)17(2)29;1-17-26(20-5-4-6-23(11-20)37-3)34-27(33-17)19-7-9-35(10-8-19)28-24-12-21(13-25(24)30-16-31-28)22-14-32-36(15-22)18(2)29;1-15-4-5-21(35-15)23-16(2)30-24(32-23)17-7-10-33(11-8-17)26-19-13-20(31-25(19)28-14-29-26)18-6-9-27-22(12-18)34-3/h3-6,11,13-15,17,19H,7-10,12H2,1-2H3,(H,36,37);4-6,11-12,14-16,18-19H,7-10,13H2,1-3H3,(H,33,34);4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,30,32)(H,28,29,31)
InChIKeyVOGGYLMYEOBLNK-UHFFFAOYSA-N
MW1538.77 g/mol
LogP17.07
Rot. Bonds17

About 6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 161353697) has the molecular formula C82H84F5N21O3S and a molecular weight of 1538.77 g/mol. Its IUPAC name is 6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID161353697
Molecular FormulaC82H84F5N21O3S
Molecular Weight1538.77 g/mol
Exact Mass1537.67
IUPAC Name6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(C)s6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1.COc1cccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4cnn(C(C)F)c4)C5)CC3)[nH]c2C)c1.Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3cnn(C(C)F)c3)C4)CC2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C28H27F4N7O.C28H30FN7O.C26H27N7OS/c1-16-25(18-3-5-22(6-4-18)40-28(30,31)32)37-26(36-16)19-7-9-38(10-8-19)27-23-11-20(12-24(23)33-15-34-27)21-13-35-39(14-21)17(2)29;1-17-26(20-5-4-6-23(11-20)37-3)34-27(33-17)19-7-9-35(10-8-19)28-24-12-21(13-25(24)30-16-31-28)22-14-32-36(15-22)18(2)29;1-15-4-5-21(35-15)23-16(2)30-24(32-23)17-7-10-33(11-8-17)26-19-13-20(31-25(19)28-14-29-26)18-6-9-27-22(12-18)34-3/h3-6,11,13-15,17,19H,7-10,12H2,1-2H3,(H,36,37);4-6,11-12,14-16,18-19H,7-10,13H2,1-3H3,(H,33,34);4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,30,32)(H,28,29,31)
InChIKeyVOGGYLMYEOBLNK-UHFFFAOYSA-N
XLogP17.07
TPSA265.11 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms112
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.77
LogP ≤ 517.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 161353697) is 6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is COc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(C)s6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1.COc1cccc(-c2nc(C3CCN(c4ncnc5c4C=C(c4cnn(C(C)F)c4)C5)CC3)[nH]c2C)c1.Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3cnn(C(C)F)c3)C4)CC2)nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is VOGGYLMYEOBLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F4N7O.C28H30FN7O.C26H27N7OS/c1-16-25(18-3-5-22(6-4-18)40-28(30,31)32)37-26(36-16)19-7-9-38(10-8-19)27-23-11-20(12-24(23)33-15-34-27)21-13-35-39(14-21)17(2)29;1-17-26(20-5-4-6-23(11-20)37-3)34-27(33-17)19-7-9-35(10-8-19)28-24-12-21(13-25(24)30-16-31-28)22-14-32-36(15-22)18(2)29;1-15-4-5-21(35-15)23-16(2)30-24(32-23)17-7-10-33(11-8-17)26-19-13-20(31-25(19)28-14-29-26)18-6-9-27-22(12-18)34-3/h3-6,11,13-15,17,19H,7-10,12H2,1-2H3,(H,36,37);4-6,11-12,14-16,18-19H,7-10,13H2,1-3H3,(H,33,34);4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,30,32)(H,28,29,31).
What are the key properties of 6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1538.77 g/mol, XLogP of 17.07, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 161353697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).