6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile

C117H113N21O4S — CID 157206412

IUPAC6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
SMILESCOc1ncc(C2=Cc3c(ncnc3N3CCC(c4cc(C)c(-c5ccccc5)[nH]4)CC3)C2)cn1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(C#N)cc3)C4)CC2)[nH]c1-c1ccccc1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(C(N)=O)cc3)C4)CC2)[nH]c1-c1ccccc1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(S(N)(=O)=O)cc3)C4)CC2)[nH]c1-c1ccccc1
InChIInChI=1S/C30H29N5O.C30H27N5.C29H29N5O2S.C28H28N6O/c1-19-15-26(34-28(19)22-5-3-2-4-6-22)21-11-13-35(14-12-21)30-25-16-24(17-27(25)32-18-33-30)20-7-9-23(10-8-20)29(31)36;1-20-15-27(34-29(20)24-5-3-2-4-6-24)23-11-13-35(14-12-23)30-26-16-25(17-28(26)32-19-33-30)22-9-7-21(18-31)8-10-22;1-19-15-26(33-28(19)22-5-3-2-4-6-22)21-11-13-34(14-12-21)29-25-16-23(17-27(25)31-18-32-29)20-7-9-24(10-8-20)37(30,35)36;1-18-12-24(33-26(18)20-6-4-3-5-7-20)19-8-10-34(11-9-19)27-23-13-21(14-25(23)31-17-32-27)22-15-29-28(35-2)30-16-22/h2-10,15-16,18,21,34H,11-14,17H2,1H3,(H2,31,36);2-10,15-16,19,23,34H,11-14,17H2,1H3;2-10,15-16,18,21,33H,11-14,17H2,1H3,(H2,30,35,36);3-7,12-13,15-17,19,33H,8-11,14H2,1-2H3
InChIKeyARKGVZAGTGUVAV-UHFFFAOYSA-N
MW1909.40 g/mol
LogP21.46
Rot. Bonds19

About 6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile

6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile (PubChem CID 157206412) has the molecular formula C117H113N21O4S and a molecular weight of 1909.40 g/mol. Its IUPAC name is 6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile.

Molecular Properties

Compound Name6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
PubChem CID157206412
Molecular FormulaC117H113N21O4S
Molecular Weight1909.40 g/mol
Exact Mass1907.90
IUPAC Name6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
SMILESCOc1ncc(C2=Cc3c(ncnc3N3CCC(c4cc(C)c(-c5ccccc5)[nH]4)CC3)C2)cn1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(C#N)cc3)C4)CC2)[nH]c1-c1ccccc1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(C(N)=O)cc3)C4)CC2)[nH]c1-c1ccccc1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(S(N)(=O)=O)cc3)C4)CC2)[nH]c1-c1ccccc1
InChIInChI=1S/C30H29N5O.C30H27N5.C29H29N5O2S.C28H28N6O/c1-19-15-26(34-28(19)22-5-3-2-4-6-22)21-11-13-35(14-12-21)30-25-16-24(17-27(25)32-18-33-30)20-7-9-23(10-8-20)29(31)36;1-20-15-27(34-29(20)24-5-3-2-4-6-24)23-11-13-35(14-12-23)30-26-16-25(17-28(26)32-19-33-30)22-9-7-21(18-31)8-10-22;1-19-15-26(33-28(19)22-5-3-2-4-6-22)21-11-13-34(14-12-21)29-25-16-23(17-27(25)31-18-32-29)20-7-9-24(10-8-20)37(30,35)36;1-18-12-24(33-26(18)20-6-4-3-5-7-20)19-8-10-34(11-9-19)27-23-13-21(14-25(23)31-17-32-27)22-15-29-28(35-2)30-16-22/h2-10,15-16,18,21,34H,11-14,17H2,1H3,(H2,31,36);2-10,15-16,19,23,34H,11-14,17H2,1H3;2-10,15-16,18,21,33H,11-14,17H2,1H3,(H2,30,35,36);3-7,12-13,15-17,19,33H,8-11,14H2,1-2H3
InChIKeyARKGVZAGTGUVAV-UHFFFAOYSA-N
XLogP21.46
TPSA341.29 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms143
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001909.40
LogP ≤ 521.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
The IUPAC name of 6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile (CID 157206412) is 6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile.
What is the SMILES notation for 6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
The canonical SMILES for 6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile is COc1ncc(C2=Cc3c(ncnc3N3CCC(c4cc(C)c(-c5ccccc5)[nH]4)CC3)C2)cn1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(C#N)cc3)C4)CC2)[nH]c1-c1ccccc1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(C(N)=O)cc3)C4)CC2)[nH]c1-c1ccccc1.Cc1cc(C2CCN(c3ncnc4c3C=C(c3ccc(S(N)(=O)=O)cc3)C4)CC2)[nH]c1-c1ccccc1.
What is the InChIKey of 6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
The InChIKey is ARKGVZAGTGUVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O.C30H27N5.C29H29N5O2S.C28H28N6O/c1-19-15-26(34-28(19)22-5-3-2-4-6-22)21-11-13-35(14-12-21)30-25-16-24(17-27(25)32-18-33-30)20-7-9-23(10-8-20)29(31)36;1-20-15-27(34-29(20)24-5-3-2-4-6-24)23-11-13-35(14-12-23)30-26-16-25(17-28(26)32-19-33-30)22-9-7-21(18-31)8-10-22;1-19-15-26(33-28(19)22-5-3-2-4-6-22)21-11-13-34(14-12-21)29-25-16-23(17-27(25)31-18-32-29)20-7-9-24(10-8-20)37(30,35)36;1-18-12-24(33-26(18)20-6-4-3-5-7-20)19-8-10-34(11-9-19)27-23-13-21(14-25(23)31-17-32-27)22-15-29-28(35-2)30-16-22/h2-10,15-16,18,21,34H,11-14,17H2,1H3,(H2,31,36);2-10,15-16,19,23,34H,11-14,17H2,1H3;2-10,15-16,18,21,33H,11-14,17H2,1H3,(H2,30,35,36);3-7,12-13,15-17,19,33H,8-11,14H2,1-2H3.
What are the key properties of 6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile has a molecular weight of 1909.40 g/mol, XLogP of 21.46, 19 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile is sourced from PubChem (CID 157206412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).