3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine

C29H30N4 — CID 149443901

IUPAC3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine
SMILESCC1CN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5[nH]ccc5c3)=CC4)cc2)CCN1C
InChIInChI=1S/C29H30N4/c1-20-18-33(14-13-32(20)2)19-21-3-5-22(6-4-21)25-16-27-26(8-10-29(27)31-17-25)23-7-9-28-24(15-23)11-12-30-28/h3-9,11-12,15-17,20,30H,10,13-14,18-19H2,1-2H3
InChIKeyYWHLUZUESKXFAZ-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.35
Rot. Bonds4

About 3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine

3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine (PubChem CID 149443901) has the molecular formula C29H30N4 and a molecular weight of 434.59 g/mol. Its IUPAC name is 3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine
PubChem CID149443901
Molecular FormulaC29H30N4
Molecular Weight434.59 g/mol
Exact Mass434.25
IUPAC Name3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine
SMILESCC1CN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5[nH]ccc5c3)=CC4)cc2)CCN1C
InChIInChI=1S/C29H30N4/c1-20-18-33(14-13-32(20)2)19-21-3-5-22(6-4-21)25-16-27-26(8-10-29(27)31-17-25)23-7-9-28-24(15-23)11-12-30-28/h3-9,11-12,15-17,20,30H,10,13-14,18-19H2,1-2H3
InChIKeyYWHLUZUESKXFAZ-UHFFFAOYSA-N
XLogP5.35
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine with MolForge

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Related Compounds

ethyl 4-[[4-[5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]methyl]piperazine-1-carboxylate
CID 160645057
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
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
4-[[4-[5-(1H-indol-5-yl)-7-methyl-7,8-dihydroquinolin-3-yl]phenyl]methyl]-1-methylpiperazin-2-one
CID 91100403
5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
CID 159636059
5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
CID 162176179
[3-(1H-indol-5-yl)-5-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 137403911
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
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
5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
CID 164989840

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine?
The IUPAC name of 3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine (CID 149443901) is 3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for 3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine is CC1CN(Cc2ccc(-c3cnc4c(c3)C(c3ccc5[nH]ccc5c3)=CC4)cc2)CCN1C.
What is the InChIKey of 3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine?
The InChIKey is YWHLUZUESKXFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4/c1-20-18-33(14-13-32(20)2)19-21-3-5-22(6-4-21)25-16-27-26(8-10-29(27)31-17-25)23-7-9-28-24(15-23)11-12-30-28/h3-9,11-12,15-17,20,30H,10,13-14,18-19H2,1-2H3.
What are the key properties of 3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine?
3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine has a molecular weight of 434.59 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 149443901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).