5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine

C26H26FN3 — CID 162176179

IUPAC5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
SMILESCN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3cccc(F)c3)=CC4)cc2)CC1
InChIInChI=1S/C26H26FN3/c1-29-11-13-30(14-12-29)18-19-5-7-20(8-6-19)22-16-25-24(9-10-26(25)28-17-22)21-3-2-4-23(27)15-21/h2-9,15-17H,10-14,18H2,1H3
InChIKeyZOKUSTNRNMLNSI-UHFFFAOYSA-N
MW399.51 g/mol
LogP4.62
Rot. Bonds4

About 5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine

5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine (PubChem CID 162176179) has the molecular formula C26H26FN3 and a molecular weight of 399.51 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
PubChem CID162176179
Molecular FormulaC26H26FN3
Molecular Weight399.51 g/mol
Exact Mass399.21
IUPAC Name5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
SMILESCN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3cccc(F)c3)=CC4)cc2)CC1
InChIInChI=1S/C26H26FN3/c1-29-11-13-30(14-12-29)18-19-5-7-20(8-6-19)22-16-25-24(9-10-26(25)28-17-22)21-3-2-4-23(27)15-21/h2-9,15-17H,10-14,18H2,1H3
InChIKeyZOKUSTNRNMLNSI-UHFFFAOYSA-N
XLogP4.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
CID 159636059
2-fluoro-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzoic acid
CID 157278918
2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
CID 149471038
5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
CID 164989840
5-(3-chlorophenyl)-3-[4-(piperazin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
CID 165015583
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
3-[4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]phenyl]-5-(3-methylphenyl)-7H-cyclopenta[b]pyridine
CID 159840719
5-(3-chlorophenyl)-3-[4-(piperazin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine;5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 165015582
3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine
CID 149443901
N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 160817257
4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
CID 157118893
1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
CID 70325548

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine (CID 162176179) is 5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine is CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3cccc(F)c3)=CC4)cc2)CC1.
What is the InChIKey of 5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine?
The InChIKey is ZOKUSTNRNMLNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3/c1-29-11-13-30(14-12-29)18-19-5-7-20(8-6-19)22-16-25-24(9-10-26(25)28-17-22)21-3-2-4-23(27)15-21/h2-9,15-17H,10-14,18H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine?
5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine has a molecular weight of 399.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 162176179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).