4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide

C100H101F2N27O3 — CID 158292745

IUPAC4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide
SMILESCOc1cccc(-c2cc3c(N4CCN(C(=O)NC(C)c5cccc(OC(F)F)c5)C(C)(C)C4)ncnc3[nH]2)c1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(c4nc5ccccc5[nH]4)CC3)C2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(c4nc5ccccc5[nH]4)CC3)C2)cn1.Cn1cc(C2=Cc3c(ncnc3N3CCN(c4nc5ccccc5[nH]4)CC3)C2)cn1
InChIInChI=1S/C29H32F2N6O3.C25H24N6.C24H23N7.C22H22N8/c1-18(19-7-5-10-22(13-19)40-27(30)31)34-28(38)37-12-11-36(16-29(37,2)3)26-23-15-24(35-25(23)32-17-33-26)20-8-6-9-21(14-20)39-4;1-17-6-8-18(9-7-17)19-14-20-23(15-19)26-16-27-24(20)30-10-12-31(13-11-30)25-28-21-4-2-3-5-22(21)29-25;1-16-6-7-17(14-25-16)18-12-19-22(13-18)26-15-27-23(19)30-8-10-31(11-9-30)24-28-20-4-2-3-5-21(20)29-24;1-28-13-16(12-25-28)15-10-17-20(11-15)23-14-24-21(17)29-6-8-30(9-7-29)22-26-18-4-2-3-5-19(18)27-22/h5-10,13-15,17-18,27H,11-12,16H2,1-4H3,(H,34,38)(H,32,33,35);2-9,14,16H,10-13,15H2,1H3,(H,28,29);2-7,12,14-15H,8-11,13H2,1H3,(H,28,29);2-5,10,12-14H,6-9,11H2,1H3,(H,26,27)
InChIKeyGLOBGVQGVALWMH-UHFFFAOYSA-N
MW1767.09 g/mol
LogP15.68
Rot. Bonds16

About 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide

4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide (PubChem CID 158292745) has the molecular formula C100H101F2N27O3 and a molecular weight of 1767.09 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide
PubChem CID158292745
Molecular FormulaC100H101F2N27O3
Molecular Weight1767.09 g/mol
Exact Mass1765.85
IUPAC Name4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide
SMILESCOc1cccc(-c2cc3c(N4CCN(C(=O)NC(C)c5cccc(OC(F)F)c5)C(C)(C)C4)ncnc3[nH]2)c1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(c4nc5ccccc5[nH]4)CC3)C2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(c4nc5ccccc5[nH]4)CC3)C2)cn1.Cn1cc(C2=Cc3c(ncnc3N3CCN(c4nc5ccccc5[nH]4)CC3)C2)cn1
InChIInChI=1S/C29H32F2N6O3.C25H24N6.C24H23N7.C22H22N8/c1-18(19-7-5-10-22(13-19)40-27(30)31)34-28(38)37-12-11-36(16-29(37,2)3)26-23-15-24(35-25(23)32-17-33-26)20-8-6-9-21(14-20)39-4;1-17-6-8-18(9-7-17)19-14-20-23(15-19)26-16-27-24(20)30-10-12-31(13-11-30)25-28-21-4-2-3-5-22(21)29-25;1-16-6-7-17(14-25-16)18-12-19-22(13-18)26-15-27-23(19)30-8-10-31(11-9-30)24-28-20-4-2-3-5-21(20)29-24;1-28-13-16(12-25-28)15-10-17-20(11-15)23-14-24-21(17)29-6-8-30(9-7-29)22-26-18-4-2-3-5-19(18)27-22/h5-10,13-15,17-18,27H,11-12,16H2,1-4H3,(H,34,38)(H,32,33,35);2-9,14,16H,10-13,15H2,1H3,(H,28,29);2-7,12,14-15H,8-11,13H2,1H3,(H,28,29);2-5,10,12-14H,6-9,11H2,1H3,(H,26,27)
InChIKeyGLOBGVQGVALWMH-UHFFFAOYSA-N
XLogP15.68
TPSA309.14 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001767.09
LogP ≤ 515.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 90115104
3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]-1-[4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 68455634
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
3-(methoxymethyl)-4-[6-[5-(6-methyl-2-pyridinyl)-2-[[4-[[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxymethyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035434
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-methoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 136946239
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137038305
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137038859
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137087283
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137111303
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 137312502
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 137312962

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide (CID 158292745) is 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide is COc1cccc(-c2cc3c(N4CCN(C(=O)NC(C)c5cccc(OC(F)F)c5)C(C)(C)C4)ncnc3[nH]2)c1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(c4nc5ccccc5[nH]4)CC3)C2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(c4nc5ccccc5[nH]4)CC3)C2)cn1.Cn1cc(C2=Cc3c(ncnc3N3CCN(c4nc5ccccc5[nH]4)CC3)C2)cn1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide?
The InChIKey is GLOBGVQGVALWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O3.C25H24N6.C24H23N7.C22H22N8/c1-18(19-7-5-10-22(13-19)40-27(30)31)34-28(38)37-12-11-36(16-29(37,2)3)26-23-15-24(35-25(23)32-17-33-26)20-8-6-9-21(14-20)39-4;1-17-6-8-18(9-7-17)19-14-20-23(15-19)26-16-27-24(20)30-10-12-31(13-11-30)25-28-21-4-2-3-5-22(21)29-25;1-16-6-7-17(14-25-16)18-12-19-22(13-18)26-15-27-23(19)30-8-10-31(11-9-30)24-28-20-4-2-3-5-21(20)29-24;1-28-13-16(12-25-28)15-10-17-20(11-15)23-14-24-21(17)29-6-8-30(9-7-29)22-26-18-4-2-3-5-19(18)27-22/h5-10,13-15,17-18,27H,11-12,16H2,1-4H3,(H,34,38)(H,32,33,35);2-9,14,16H,10-13,15H2,1H3,(H,28,29);2-7,12,14-15H,8-11,13H2,1H3,(H,28,29);2-5,10,12-14H,6-9,11H2,1H3,(H,26,27).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide?
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide has a molecular weight of 1767.09 g/mol, XLogP of 15.68, 16 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine;4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 158292745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).