2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol

C27H29N3O2 — CID 149471038

IUPAC2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
SMILESCOc1ccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cc1O
InChIInChI=1S/C27H29N3O2/c1-29-11-13-30(14-12-29)18-19-3-5-20(6-4-19)22-15-24-23(8-9-25(24)28-17-22)21-7-10-27(32-2)26(31)16-21/h3-8,10,15-17,31H,9,11-14,18H2,1-2H3
InChIKeyZBJBOKMUPSJKAF-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.20
Rot. Bonds5

About 2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol

2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol (PubChem CID 149471038) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
PubChem CID149471038
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
SMILESCOc1ccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cc1O
InChIInChI=1S/C27H29N3O2/c1-29-11-13-30(14-12-29)18-19-3-5-20(6-4-19)22-15-24-23(8-9-25(24)28-17-22)21-7-10-27(32-2)26(31)16-21/h3-8,10,15-17,31H,9,11-14,18H2,1-2H3
InChIKeyZBJBOKMUPSJKAF-UHFFFAOYSA-N
XLogP4.20
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
CID 160536618
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
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-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
CID 164989840
4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
CID 157118893
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
5-(3-chlorophenyl)-3-[4-(piperazin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
CID 165015583
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
ethyl 4-[[4-[5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]methyl]piperazine-1-carboxylate
CID 160645057
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
3-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-5-(1H-indol-5-yl)-7H-cyclopenta[b]pyridine
CID 149443901

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol (CID 149471038) is 2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol is COc1ccc(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cc1O.
What is the InChIKey of 2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?
The InChIKey is ZBJBOKMUPSJKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-29-11-13-30(14-12-29)18-19-3-5-20(6-4-19)22-15-24-23(8-9-25(24)28-17-22)21-7-10-27(32-2)26(31)16-21/h3-8,10,15-17,31H,9,11-14,18H2,1-2H3.
What are the key properties of 2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?
2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol has a molecular weight of 427.55 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol is sourced from PubChem (CID 149471038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).