3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine

C20H24N4O — CID 149452902

IUPAC3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2nccc(Oc3ccc(CN4CCN(C)CC4)cc3)c12
InChIInChI=1S/C20H24N4O/c1-15-13-22-20-19(15)18(7-8-21-20)25-17-5-3-16(4-6-17)14-24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
InChIKeyYXZLKYUACASGJP-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.41
Rot. Bonds4

About 3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine

3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 149452902) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine
PubChem CID149452902
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2nccc(Oc3ccc(CN4CCN(C)CC4)cc3)c12
InChIInChI=1S/C20H24N4O/c1-15-13-22-20-19(15)18(7-8-21-20)25-17-5-3-16(4-6-17)14-24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
InChIKeyYXZLKYUACASGJP-UHFFFAOYSA-N
XLogP3.41
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

Abivertinib
CID 72734520
Plx-5622
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7-[trans-4-(4-Methylpiperazin-1-Yl)cyclohexyl]-5-(4-Phenoxyphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
CID 6539952
4-((2-((4-Cyanophenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
CID 57693582
6-Chloro-N4-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,4-pyrimidinediamine
CID 11524200
Meriolin 3
CID 23727981
Meriolin 5
CID 23727982
(S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperazine-1-carboxamido)phenyl dimethylcarbamate
CID 44543080
Rwj-68354
CID 9819053
N2-(2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethyl)-N4-butyl-N6-(2-methoxyphenethyl)-N4-methyl-1,3,5-triazine-2,4,6-triamine
CID 24767906
Meriolin 6
CID 24801185
Meriolin 4
CID 24801697

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine (CID 149452902) is 3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine is Cc1c[nH]c2nccc(Oc3ccc(CN4CCN(C)CC4)cc3)c12.
What is the InChIKey of 3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YXZLKYUACASGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-13-22-20-19(15)18(7-8-21-20)25-17-5-3-16(4-6-17)14-24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,21,22).
What are the key properties of 3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine?
3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 336.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 149452902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).