5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine

C105H117N15O3S2 — CID 157069519

IUPAC5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine
SMILESC=S(C)(=O)c1ccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cn1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc(CN5CCOCC5)s3)=CC4)cc2)CC1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccn(C)c3)=CC4)cc2)CC1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccoc3)=CC4)cc2)CC1
InChIInChI=1S/C29H34N4OS.C27H30N4OS.C25H28N4.C24H25N3O/c1-31-10-12-32(13-11-31)20-22-2-4-23(5-3-22)24-18-27-26(7-8-28(27)30-19-24)29-9-6-25(35-29)21-33-14-16-34-17-15-33;1-30-12-14-31(15-13-30)19-20-4-6-21(7-5-20)23-16-25-24(9-10-26(25)28-18-23)22-8-11-27(29-17-22)33(2,3)32;1-27-11-13-29(14-12-27)17-19-3-5-20(6-4-19)22-15-24-23(7-8-25(24)26-16-22)21-9-10-28(2)18-21;1-26-9-11-27(12-10-26)16-18-2-4-19(5-3-18)21-14-23-22(20-8-13-28-17-20)6-7-24(23)25-15-21/h2-7,9,18-19H,8,10-17,20-21H2,1H3;4-9,11,16-18H,2,10,12-15,19H2,1,3H3;3-7,9-10,15-16,18H,8,11-14,17H2,1-2H3;2-6,8,13-15,17H,7,9-12,16H2,1H3
InChIKeyACGLAYYJICOZON-UHFFFAOYSA-N
MW1701.33 g/mol
LogP15.86
Rot. Bonds19

About 5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine

5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine (PubChem CID 157069519) has the molecular formula C105H117N15O3S2 and a molecular weight of 1701.33 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine
PubChem CID157069519
Molecular FormulaC105H117N15O3S2
Molecular Weight1701.33 g/mol
Exact Mass1699.89
IUPAC Name5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine
SMILESC=S(C)(=O)c1ccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cn1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc(CN5CCOCC5)s3)=CC4)cc2)CC1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccn(C)c3)=CC4)cc2)CC1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccoc3)=CC4)cc2)CC1
InChIInChI=1S/C29H34N4OS.C27H30N4OS.C25H28N4.C24H25N3O/c1-31-10-12-32(13-11-31)20-22-2-4-23(5-3-22)24-18-27-26(7-8-28(27)30-19-24)29-9-6-25(35-29)21-33-14-16-34-17-15-33;1-30-12-14-31(15-13-30)19-20-4-6-21(7-5-20)23-16-25-24(9-10-26(25)28-18-23)22-8-11-27(29-17-22)33(2,3)32;1-27-11-13-29(14-12-27)17-19-3-5-20(6-4-19)22-15-24-23(7-8-25(24)26-16-22)21-9-10-28(2)18-21;1-26-9-11-27(12-10-26)16-18-2-4-19(5-3-18)21-14-23-22(20-8-13-28-17-20)6-7-24(23)25-15-21/h2-7,9,18-19H,8,10-17,20-21H2,1H3;4-9,11,16-18H,2,10,12-15,19H2,1,3H3;3-7,9-10,15-16,18H,8,11-14,17H2,1-2H3;2-6,8,13-15,17H,7,9-12,16H2,1H3
InChIKeyACGLAYYJICOZON-UHFFFAOYSA-N
XLogP15.86
TPSA137.98 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001701.33
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine with MolForge

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Related Compounds

Methane;1-methyl-2-(3-methyl-1-benzofuran-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-1-benzothiophen-2-yl)pyridin-1-ium;1-methyl-2-(3-methylfuran-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methylthiophen-2-yl)pyridin-1-ium
CID 158246391
1-Methyl-2-(3-methyl-1-benzofuran-2-yl)pyridin-1-ium;1-methyl-2-(3-methylfuran-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(3-methylthiophen-2-yl)pyridin-1-ium
CID 158513175
Ethane;methane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
CID 158587620
Ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
CID 158987925
1-[4-(Furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine
CID 159167692
CID 159743293
CID 159743293
N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[6-(furan-2-yl)-3-pyridinyl]methyl]adamantan-1-amine;N-[(6-phenyl-3-pyridinyl)methyl]adamantan-1-amine;N-[(6-pyridin-2-yl-3-pyridinyl)methyl]adamantan-1-amine;N-(quinolin-2-ylmethyl)adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine
CID 159840209
2-(4-Fluorophenyl)-4-methylpyridine;2-(4-fluorophenyl)-6-methylpyridine;3-(4-fluorophenyl)-5-methylpyridine;4-(4-fluorophenyl)-2-methylpyridine;3-(furan-3-yl)-5-methylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;3-methyl-5-thiophen-2-ylpyridine;3-methyl-5-thiophen-3-ylpyridine
CID 160084047
Ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
CID 160754925
Ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
CID 161085472
N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;N-(furan-2-ylmethyl)-N-methyl-2-piperidin-1-ylethanamine;N-(furan-2-ylmethyl)-N-methyl-1-[2-(3-piperidin-1-ylpropoxy)phenyl]methanamine;N-(furan-2-ylmethyl)-N-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]methanamine;N-(furan-2-ylmethyl)-N-methyl-1-pyridin-2-ylmethanamine;N-(furan-2-ylmethyl)-N-methyl-3-pyrrol-1-ylpropan-1-amine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;N-methyl-1-[2-(3-piperidin-1-ylpropoxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine;N-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-(pyridin-2-ylmethyl)-3-pyrrol-1-ylpropan-1-amine
CID 161575164
2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1H-isoindole;5-methyl-7H-pyrrolo[3,4-b]pyridine;7-methyl-5H-pyrrolo[3,4-b]pyridine;1-methyl-3H-pyrrolo[3,4-c]pyridine;3-methyl-1H-pyrrolo[3,4-c]pyridine
CID 161677736

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine?
The IUPAC name of 5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine (CID 157069519) is 5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for 5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine is C=S(C)(=O)c1ccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cn1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc(CN5CCOCC5)s3)=CC4)cc2)CC1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccn(C)c3)=CC4)cc2)CC1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccoc3)=CC4)cc2)CC1.
What is the InChIKey of 5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine?
The InChIKey is ACGLAYYJICOZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4OS.C27H30N4OS.C25H28N4.C24H25N3O/c1-31-10-12-32(13-11-31)20-22-2-4-23(5-3-22)24-18-27-26(7-8-28(27)30-19-24)29-9-6-25(35-29)21-33-14-16-34-17-15-33;1-30-12-14-31(15-13-30)19-20-4-6-21(7-5-20)23-16-25-24(9-10-26(25)28-18-23)22-8-11-27(29-17-22)33(2,3)32;1-27-11-13-29(14-12-27)17-19-3-5-20(6-4-19)22-15-24-23(7-8-25(24)26-16-22)21-9-10-28(2)18-21;1-26-9-11-27(12-10-26)16-18-2-4-19(5-3-18)21-14-23-22(20-8-13-28-17-20)6-7-24(23)25-15-21/h2-7,9,18-19H,8,10-17,20-21H2,1H3;4-9,11,16-18H,2,10,12-15,19H2,1,3H3;3-7,9-10,15-16,18H,8,11-14,17H2,1-2H3;2-6,8,13-15,17H,7,9-12,16H2,1H3.
What are the key properties of 5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine?
5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine has a molecular weight of 1701.33 g/mol, XLogP of 15.86, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;methyl-methylidene-[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-pyridinyl]-oxo-λ6-sulfane;4-[[5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrrol-3-yl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 157069519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).