4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine

C81H81ClF3N19OS2 — CID 158241922

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

4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 158241922) has the molecular formula C81H81ClF3N19OS2 and a molecular weight of 1493.25 g/mol. Its IUPAC name is 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 158241922
• Molecular Formula: C81H81ClF3N19OS2
• Molecular Weight: 1493.25 g/mol
• Exact Mass: 1491.60
• IUPAC Name: 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3cnn(C(C)F)c3)C4)CC2)nc1-c1ccc(OC(F)F)cc1.Cc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(C)s6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1.Cc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(Cl)s6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1
• InChI: InChI=1S/C28H28F3N7O.C27H28N6S.C26H25ClN6S/c1-16-25(18-3-5-22(6-4-18)39-28(30)31)36-26(35-16)19-7-9-37(10-8-19)27-23-11-20(12-24(23)32-15-33-27)21-13-34-38(14-21)17(2)29;1-16-4-7-19(8-5-16)22-14-21-26(31-22)28-15-29-27(21)33-12-10-20(11-13-33)25-30-18(3)24(32-25)23-9-6-17(2)34-23;1-15-3-5-17(6-4-15)20-13-19-25(31-20)28-14-29-26(19)33-11-9-18(10-12-33)24-30-16(2)23(32-24)21-7-8-22(27)34-21/h3-6,11,13-15,17,19,28H,7-10,12H2,1-2H3,(H,35,36);4-9,14-15,20H,10-13H2,1-3H3,(H,30,32)(H,28,29,31);3-8,13-14,18H,9-12H2,1-2H3,(H,30,32)(H,28,29,31)
• InChIKey: GFQJPWNXLJKSCP-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 231.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1493.25
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?

The IUPAC name of 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 158241922) is 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?

The canonical SMILES for 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3cnn(C(C)F)c3)C4)CC2)nc1-c1ccc(OC(F)F)cc1.Cc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(C)s6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1.Cc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(Cl)s6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1.

What is the InChIKey of 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?

The InChIKey is GFQJPWNXLJKSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N7O.C27H28N6S.C26H25ClN6S/c1-16-25(18-3-5-22(6-4-18)39-28(30)31)36-26(35-16)19-7-9-37(10-8-19)27-23-11-20(12-24(23)32-15-33-27)21-13-34-38(14-21)17(2)29;1-16-4-7-19(8-5-16)22-14-21-26(31-22)28-15-29-27(21)33-12-10-20(11-13-33)25-30-18(3)24(32-25)23-9-6-17(2)34-23;1-15-3-5-17(6-4-15)20-13-19-25(31-20)28-14-29-26(19)33-11-9-18(10-12-33)24-30-16(2)23(32-24)21-7-8-22(27)34-21/h3-6,11,13-15,17,19,28H,7-10,12H2,1-2H3,(H,35,36);4-9,14-15,20H,10-13H2,1-3H3,(H,30,32)(H,28,29,31);3-8,13-14,18H,9-12H2,1-2H3,(H,30,32)(H,28,29,31).

What are the key properties of 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?

4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1493.25 g/mol, XLogP of 19.06, 15 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158241922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).