3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine

C123H131N13O6 — CID 159918751

IUPAC3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine
SMILESCN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3cccc(OCc5ccccc5)c3)=CC4)cc2)CC1.COc1cc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cc(OC)c1OC.COc1ccc(-c2c[nH]c3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc23)cc1C.Cc1ccc(COc2ccc(C3=CCc4ncc(-c5ccc(CN6CCN(C)CC6)cc5)cc43)cc2)cc1
InChIInChI=1S/C34H35N3O.C33H33N3O.C29H33N3O3.C27H30N4O/c1-25-3-5-27(6-4-25)24-38-31-13-11-29(12-14-31)32-15-16-34-33(32)21-30(22-35-34)28-9-7-26(8-10-28)23-37-19-17-36(2)18-20-37;1-35-16-18-36(19-17-35)23-25-10-12-27(13-11-25)29-21-32-31(14-15-33(32)34-22-29)28-8-5-9-30(20-28)37-24-26-6-3-2-4-7-26;1-31-11-13-32(14-12-31)19-20-5-7-21(8-6-20)23-15-25-24(9-10-26(25)30-18-23)22-16-27(33-2)29(35-4)28(17-22)34-3;1-19-14-22(8-9-26(19)32-3)25-17-29-27-24(25)15-23(16-28-27)21-6-4-20(5-7-21)18-31-12-10-30(2)11-13-31/h3-15,21-22H,16-20,23-24H2,1-2H3;2-14,20-22H,15-19,23-24H2,1H3;5-9,15-18H,10-14,19H2,1-4H3;4-9,14-17H,10-13,18H2,1-3H3,(H,28,29)
InChIKeyNYCZPPGJLNZMHM-UHFFFAOYSA-N
MW1887.49 g/mol
LogP21.90
Rot. Bonds26

About 3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine

3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine (PubChem CID 159918751) has the molecular formula C123H131N13O6 and a molecular weight of 1887.49 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine
PubChem CID159918751
Molecular FormulaC123H131N13O6
Molecular Weight1887.49 g/mol
Exact Mass1886.03
IUPAC Name3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine
SMILESCN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3cccc(OCc5ccccc5)c3)=CC4)cc2)CC1.COc1cc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cc(OC)c1OC.COc1ccc(-c2c[nH]c3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc23)cc1C.Cc1ccc(COc2ccc(C3=CCc4ncc(-c5ccc(CN6CCN(C)CC6)cc5)cc43)cc2)cc1
InChIInChI=1S/C34H35N3O.C33H33N3O.C29H33N3O3.C27H30N4O/c1-25-3-5-27(6-4-25)24-38-31-13-11-29(12-14-31)32-15-16-34-33(32)21-30(22-35-34)28-9-7-26(8-10-28)23-37-19-17-36(2)18-20-37;1-35-16-18-36(19-17-35)23-25-10-12-27(13-11-25)29-21-32-31(14-15-33(32)34-22-29)28-8-5-9-30(20-28)37-24-26-6-3-2-4-7-26;1-31-11-13-32(14-12-31)19-20-5-7-21(8-6-20)23-15-25-24(9-10-26(25)30-18-23)22-16-27(33-2)29(35-4)28(17-22)34-3;1-19-14-22(8-9-26(19)32-3)25-17-29-27-24(25)15-23(16-28-27)21-6-4-20(5-7-21)18-31-12-10-30(2)11-13-31/h3-15,21-22H,16-20,23-24H2,1-2H3;2-14,20-22H,15-19,23-24H2,1H3;5-9,15-18H,10-14,19H2,1-4H3;4-9,14-17H,10-13,18H2,1-3H3,(H,28,29)
InChIKeyNYCZPPGJLNZMHM-UHFFFAOYSA-N
XLogP21.90
TPSA148.65 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001887.49
LogP ≤ 521.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine 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

4-[4-[(2,4-dimethoxyphenyl)methyl]phenyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 72195196
4-(4-benzyl-3,5-dimethoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 90013676
4-(4-benzylphenyl)-6-[4-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-9H-pyrido[2,3-b]indole
CID 168277506
3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[2-[2,4-difluoro-5-methoxy-3-[[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
CID 146304461
4-[4-[3-[[3-[[4-[3-[[3-[[3-(4-cyano-1-ethylpiperidin-4-yl)-5-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methoxy]-2,6-difluoro-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-(4-cyanopiperidin-4-yl)phenyl]methoxy]-2,6-difluoro-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-1-ethylpiperidine-4-carbonitrile
CID 146304464
3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-[1-[3-[2,4-difluoro-5-methoxy-3-[[5-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]propyl]piperidin-4-yl]pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 146304465
4-[4-[3-[[3-[4-[3-[[3-[[2-(4-cyano-1-ethylpiperidin-4-yl)-4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methoxy]-2,6-difluoro-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-(4-cyanopiperidin-4-yl)phenoxy]-2,6-difluoro-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-1-ethylpiperidine-4-carbonitrile
CID 163626594
3-[[3-methoxy-4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58087589
7-Tert-butyl-5-[3-methoxy-4-(3-methylphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-[4-(3-methoxyphenoxy)-3-methylphenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 70287545
2-(oxan-4-yloxy)-5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
CID 72705619
5-methyl-7-[2-[4-[[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]methyl]phenyl]cyclopentyl]-N-[[5-[6-[2-[(3,4,5-trimethoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 123814191
7-cyclopentyl-5-methyl-N-[[5-[6-[2-[(3,4,5-trimethoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 124011151

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine (CID 159918751) is 3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine is CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3cccc(OCc5ccccc5)c3)=CC4)cc2)CC1.COc1cc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cc(OC)c1OC.COc1ccc(-c2c[nH]c3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc23)cc1C.Cc1ccc(COc2ccc(C3=CCc4ncc(-c5ccc(CN6CCN(C)CC6)cc5)cc43)cc2)cc1.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine?
The InChIKey is NYCZPPGJLNZMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O.C33H33N3O.C29H33N3O3.C27H30N4O/c1-25-3-5-27(6-4-25)24-38-31-13-11-29(12-14-31)32-15-16-34-33(32)21-30(22-35-34)28-9-7-26(8-10-28)23-37-19-17-36(2)18-20-37;1-35-16-18-36(19-17-35)23-25-10-12-27(13-11-25)29-21-32-31(14-15-33(32)34-22-29)28-8-5-9-30(20-28)37-24-26-6-3-2-4-7-26;1-31-11-13-32(14-12-31)19-20-5-7-21(8-6-20)23-15-25-24(9-10-26(25)30-18-23)22-16-27(33-2)29(35-4)28(17-22)34-3;1-19-14-22(8-9-26(19)32-3)25-17-29-27-24(25)15-23(16-28-27)21-6-4-20(5-7-21)18-31-12-10-30(2)11-13-31/h3-15,21-22H,16-20,23-24H2,1-2H3;2-14,20-22H,15-19,23-24H2,1H3;5-9,15-18H,10-14,19H2,1-4H3;4-9,14-17H,10-13,18H2,1-3H3,(H,28,29).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine?
3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine has a molecular weight of 1887.49 g/mol, XLogP of 21.90, 26 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-[(4-methylphenyl)methoxy]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3-phenylmethoxyphenyl)-7H-cyclopenta[b]pyridine;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 159918751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).