5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine

C26H25ClN2 — CID 164989840

IUPAC5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
SMILESClc1cccc(C2=CCc3ncc(-c4ccc(CN5CCCCC5)cc4)cc32)c1
InChIInChI=1S/C26H25ClN2/c27-23-6-4-5-21(15-23)24-11-12-26-25(24)16-22(17-28-26)20-9-7-19(8-10-20)18-29-13-2-1-3-14-29/h4-11,15-17H,1-3,12-14,18H2
InChIKeyLBNRBXMUYVAMFA-UHFFFAOYSA-N
MW400.95 g/mol
LogP6.38
Rot. Bonds4

About 5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine

5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine (PubChem CID 164989840) has the molecular formula C26H25ClN2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
PubChem CID164989840
Molecular FormulaC26H25ClN2
Molecular Weight400.95 g/mol
Exact Mass400.17
IUPAC Name5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
SMILESClc1cccc(C2=CCc3ncc(-c4ccc(CN5CCCCC5)cc4)cc32)c1
InChIInChI=1S/C26H25ClN2/c27-23-6-4-5-21(15-23)24-11-12-26-25(24)16-22(17-28-26)20-9-7-19(8-10-20)18-29-13-2-1-3-14-29/h4-11,15-17H,1-3,12-14,18H2
InChIKeyLBNRBXMUYVAMFA-UHFFFAOYSA-N
XLogP6.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chlorophenyl)-3-[4-(piperazin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
CID 165015583
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
5-(3-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
CID 162176179
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
3-[4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]phenyl]-5-(3-methylphenyl)-7H-cyclopenta[b]pyridine
CID 159840719
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
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
ethyl 4-[[4-[5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]methyl]piperazine-1-carboxylate
CID 160645057
3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine
CID 149443901
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
1-[[4-(3-chlorophenyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 46872742

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine (CID 164989840) is 5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine is Clc1cccc(C2=CCc3ncc(-c4ccc(CN5CCCCC5)cc4)cc32)c1.
What is the InChIKey of 5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine?
The InChIKey is LBNRBXMUYVAMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2/c27-23-6-4-5-21(15-23)24-11-12-26-25(24)16-22(17-28-26)20-9-7-19(8-10-20)18-29-13-2-1-3-14-29/h4-11,15-17H,1-3,12-14,18H2.
What are the key properties of 5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine?
5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine has a molecular weight of 400.95 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 164989840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).