2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol

C28H31N3O2 — CID 160536618

IUPAC2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
SMILESCOc1ccc(C2=C(C)Cc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cc1O
InChIInChI=1S/C28H31N3O2/c1-19-14-25-24(28(19)22-8-9-27(33-3)26(32)16-22)15-23(17-29-25)21-6-4-20(5-7-21)18-31-12-10-30(2)11-13-31/h4-9,15-17,32H,10-14,18H2,1-3H3
InChIKeyQWFWHNIBMDVMMC-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.59
Rot. Bonds5

About 2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol

2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol (PubChem CID 160536618) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
PubChem CID160536618
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
SMILESCOc1ccc(C2=C(C)Cc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cc1O
InChIInChI=1S/C28H31N3O2/c1-19-14-25-24(28(19)22-8-9-27(33-3)26(32)16-22)15-23(17-29-25)21-6-4-20(5-7-21)18-31-12-10-30(2)11-13-31/h4-9,15-17,32H,10-14,18H2,1-3H3
InChIKeyQWFWHNIBMDVMMC-UHFFFAOYSA-N
XLogP4.59
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
CID 157118893
2-methoxy-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
CID 149471038
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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
CID 159636059
2-methoxy-5-[(4-propylpiperazin-1-yl)methyl]phenol
CID 115280838
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
4-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 70648400
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
methyl 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 11501462
5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol
CID 42276354
2-fluoro-4-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 70649311

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol (CID 160536618) is 2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol is COc1ccc(C2=C(C)Cc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)cc1O.
What is the InChIKey of 2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?
The InChIKey is QWFWHNIBMDVMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-19-14-25-24(28(19)22-8-9-27(33-3)26(32)16-22)15-23(17-29-25)21-6-4-20(5-7-21)18-31-12-10-30(2)11-13-31/h4-9,15-17,32H,10-14,18H2,1-3H3.
What are the key properties of 2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?
2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol has a molecular weight of 441.58 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol is sourced from PubChem (CID 160536618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).