bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine

C109H113N15 — CID 159865284

IUPACbis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine
SMILESCN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5[nH]ccc5c3)=CC4)cc2)CC1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5[nH]ccc5c3)=CC4)cc2)CC1.Cc1ccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cn1.Cc1cccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)c1
InChIInChI=1S/2C28H28N4.C27H29N3.C26H28N4/c2*1-31-12-14-32(15-13-31)19-20-2-4-21(5-3-20)24-17-26-25(7-9-28(26)30-18-24)22-6-8-27-23(16-22)10-11-29-27;1-20-4-3-5-23(16-20)25-10-11-27-26(25)17-24(18-28-27)22-8-6-21(7-9-22)19-30-14-12-29(2)13-15-30;1-19-3-6-22(16-27-19)24-9-10-26-25(24)15-23(17-28-26)21-7-4-20(5-8-21)18-30-13-11-29(2)12-14-30/h2*2-8,10-11,16-18,29H,9,12-15,19H2,1H3;3-10,16-18H,11-15,19H2,1-2H3;3-9,15-17H,10-14,18H2,1-2H3
InChIKeyNRQRDCRKDPNGKW-UHFFFAOYSA-N
MW1633.21 g/mol
LogP18.91
Rot. Bonds16

About bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine

bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine (PubChem CID 159865284) has the molecular formula C109H113N15 and a molecular weight of 1633.21 g/mol. Its IUPAC name is bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Namebis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine
PubChem CID159865284
Molecular FormulaC109H113N15
Molecular Weight1633.21 g/mol
Exact Mass1631.93
IUPAC Namebis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine
SMILESCN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5[nH]ccc5c3)=CC4)cc2)CC1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5[nH]ccc5c3)=CC4)cc2)CC1.Cc1ccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cn1.Cc1cccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)c1
InChIInChI=1S/2C28H28N4.C27H29N3.C26H28N4/c2*1-31-12-14-32(15-13-31)19-20-2-4-21(5-3-20)24-17-26-25(7-9-28(26)30-18-24)22-6-8-27-23(16-22)10-11-29-27;1-20-4-3-5-23(16-20)25-10-11-27-26(25)17-24(18-28-27)22-8-6-21(7-9-22)19-30-14-12-29(2)13-15-30;1-19-3-6-22(16-27-19)24-9-10-26-25(24)15-23(17-28-26)21-7-4-20(5-8-21)18-30-13-11-29(2)12-14-30/h2*2-8,10-11,16-18,29H,9,12-15,19H2,1H3;3-10,16-18H,11-15,19H2,1-2H3;3-9,15-17H,10-14,18H2,1-2H3
InChIKeyNRQRDCRKDPNGKW-UHFFFAOYSA-N
XLogP18.91
TPSA121.95 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001633.21
LogP ≤ 518.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine
CID 149443901
ethyl 4-[[4-[5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]methyl]piperazine-1-carboxylate
CID 160645057
5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
CID 162176179
1-[4-[[4-[5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 158741761
5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
CID 159636059
3-[4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]phenyl]-5-(3-methylphenyl)-7H-cyclopenta[b]pyridine
CID 159840719
2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
CID 149471038
2-fluoro-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzoic acid
CID 157278918
5-(3-chlorophenyl)-3-[4-(piperazin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
CID 165015583
1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
CID 70325548
5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
CID 164989840
5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-1H-pyrrolo[3,2-b]pyridine
CID 157484417

Frequently Asked Questions

What is the IUPAC name of bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine?
The IUPAC name of bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine (CID 159865284) is bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine is CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5[nH]ccc5c3)=CC4)cc2)CC1.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5[nH]ccc5c3)=CC4)cc2)CC1.Cc1ccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cn1.Cc1cccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)c1.
What is the InChIKey of bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine?
The InChIKey is NRQRDCRKDPNGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28N4.C27H29N3.C26H28N4/c2*1-31-12-14-32(15-13-31)19-20-2-4-21(5-3-20)24-17-26-25(7-9-28(26)30-18-24)22-6-8-27-23(16-22)10-11-29-27;1-20-4-3-5-23(16-20)25-10-11-27-26(25)17-24(18-28-27)22-8-6-21(7-9-22)19-30-14-12-29(2)13-15-30;1-19-3-6-22(16-27-19)24-9-10-26-25(24)15-23(17-28-26)21-7-4-20(5-8-21)18-30-13-11-29(2)12-14-30/h2*2-8,10-11,16-18,29H,9,12-15,19H2,1H3;3-10,16-18H,11-15,19H2,1-2H3;3-9,15-17H,10-14,18H2,1-2H3.
What are the key properties of bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine?
bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine has a molecular weight of 1633.21 g/mol, XLogP of 18.91, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-(1H-indol-5-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine);5-(3-methylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 159865284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).