5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine

C110H122N16 — CID 159716362

IUPAC5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine
SMILESCN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5cnn(C)c5c3)=CC4)cc2)CC1.Cc1cc(C)cc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)c1.Cc1ccc(C)c(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)c1.Cc1nn(C)c(C)c1C1=CCc2ncc(-c3ccc(CN4CCN(C)CC4)cc3)cc21
InChIInChI=1S/C28H29N5.2C28H31N3.C26H31N5/c1-31-11-13-33(14-12-31)19-20-3-5-21(6-4-20)24-15-26-25(9-10-27(26)29-17-24)22-7-8-23-18-30-32(2)28(23)16-22;1-20-14-21(2)16-24(15-20)26-8-9-28-27(26)17-25(18-29-28)23-6-4-22(5-7-23)19-31-12-10-30(3)11-13-31;1-20-4-5-21(2)26(16-20)25-10-11-28-27(25)17-24(18-29-28)23-8-6-22(7-9-23)19-31-14-12-30(3)13-15-31;1-18-26(19(2)30(4)28-18)23-9-10-25-24(23)15-22(16-27-25)21-7-5-20(6-8-21)17-31-13-11-29(3)12-14-31/h3-9,15-18H,10-14,19H2,1-2H3;4-8,14-18H,9-13,19H2,1-3H3;4-10,16-18H,11-15,19H2,1-3H3;5-9,15-16H,10-14,17H2,1-4H3
InChIKeyMZMFVZVIVOZNHM-UHFFFAOYSA-N
MW1668.30 g/mol
LogP18.41
Rot. Bonds16

About 5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine

5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine (PubChem CID 159716362) has the molecular formula C110H122N16 and a molecular weight of 1668.30 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine
PubChem CID159716362
Molecular FormulaC110H122N16
Molecular Weight1668.30 g/mol
Exact Mass1667.00
IUPAC Name5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine
SMILESCN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5cnn(C)c5c3)=CC4)cc2)CC1.Cc1cc(C)cc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)c1.Cc1ccc(C)c(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)c1.Cc1nn(C)c(C)c1C1=CCc2ncc(-c3ccc(CN4CCN(C)CC4)cc3)cc21
InChIInChI=1S/C28H29N5.2C28H31N3.C26H31N5/c1-31-11-13-33(14-12-31)19-20-3-5-21(6-4-20)24-15-26-25(9-10-27(26)29-17-24)22-7-8-23-18-30-32(2)28(23)16-22;1-20-14-21(2)16-24(15-20)26-8-9-28-27(26)17-25(18-29-28)23-6-4-22(5-7-23)19-31-12-10-30(3)11-13-31;1-20-4-5-21(2)26(16-20)25-10-11-28-27(25)17-24(18-29-28)23-8-6-22(7-9-23)19-31-14-12-30(3)13-15-31;1-18-26(19(2)30(4)28-18)23-9-10-25-24(23)15-22(16-27-25)21-7-5-20(6-8-21)17-31-13-11-29(3)12-14-31/h3-9,15-18H,10-14,19H2,1-2H3;4-8,14-18H,9-13,19H2,1-3H3;4-10,16-18H,11-15,19H2,1-3H3;5-9,15-16H,10-14,17H2,1-4H3
InChIKeyMZMFVZVIVOZNHM-UHFFFAOYSA-N
XLogP18.41
TPSA113.12 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.30
LogP ≤ 518.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine with MolForge

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Related Compounds

3-[1-[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenyl]triazol-4-yl]-9-octylcarbazole
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US20250115583, Example 179
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Nickel(2+);1,9-phenanthroline;bis(1,10-phenanthroline);dibromide
CID 176468461
CID 16733987
CID 16733987
5-(4-Methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline
CID 16734816
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012306
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline)
CID 59012316
5-[3-[2-Pyridin-2-yl-6-[3-pyrido[4,3-b]indol-5-yl-5-(trifluoromethyl)phenyl]pyridin-4-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
CID 59325991
5-[3-(Fluoromethyl)-5-[2-pyridin-2-yl-6-[3-pyrido[4,3-b]indol-5-yl-5-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 68196062
8-[2-Fluoro-4-[2-naphthalen-1-yl-6-(6-phenyl-2-pyridinyl)-4-pyridinyl]phenyl]-5-naphthalen-1-ylpyrido[4,3-b]indole
CID 89889241
3-Butyl-9-(4-tert-butyl-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl)-10,10-diethyl-14-fluoro-19,19-dimethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123197507
4-Butyl-9-(4-tert-butyl-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaen-8-yl)-10,10-diethyl-14-fluoro-19,19-dimethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123697990

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine?
The IUPAC name of 5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine (CID 159716362) is 5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for 5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine is CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5cnn(C)c5c3)=CC4)cc2)CC1.Cc1cc(C)cc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)c1.Cc1ccc(C)c(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)c1.Cc1nn(C)c(C)c1C1=CCc2ncc(-c3ccc(CN4CCN(C)CC4)cc3)cc21.
What is the InChIKey of 5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine?
The InChIKey is MZMFVZVIVOZNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5.2C28H31N3.C26H31N5/c1-31-11-13-33(14-12-31)19-20-3-5-21(6-4-20)24-15-26-25(9-10-27(26)29-17-24)22-7-8-23-18-30-32(2)28(23)16-22;1-20-14-21(2)16-24(15-20)26-8-9-28-27(26)17-25(18-29-28)23-6-4-22(5-7-23)19-31-12-10-30(3)11-13-31;1-20-4-5-21(2)26(16-20)25-10-11-28-27(25)17-24(18-29-28)23-8-6-22(7-9-23)19-31-14-12-30(3)13-15-31;1-18-26(19(2)30(4)28-18)23-9-10-25-24(23)15-22(16-27-25)21-7-5-20(6-8-21)17-31-13-11-29(3)12-14-31/h3-9,15-18H,10-14,19H2,1-2H3;4-8,14-18H,9-13,19H2,1-3H3;4-10,16-18H,11-15,19H2,1-3H3;5-9,15-16H,10-14,17H2,1-4H3.
What are the key properties of 5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine?
5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine has a molecular weight of 1668.30 g/mol, XLogP of 18.41, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 159716362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).