2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile

C22H24N4O — CID 146333347

IUPAC2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
SMILESCc1cc(-c2c[nH]c3nccc(OCC4(C)CCNCC4)c23)ccc1C#N
InChIInChI=1S/C22H24N4O/c1-15-11-16(3-4-17(15)12-23)18-13-26-21-20(18)19(5-8-25-21)27-14-22(2)6-9-24-10-7-22/h3-5,8,11,13,24H,6-7,9-10,14H2,1-2H3,(H,25,26)
InChIKeyTVJVKCCHLLBSQP-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.18
Rot. Bonds4

About 2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile

2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile (PubChem CID 146333347) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
PubChem CID146333347
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
SMILESCc1cc(-c2c[nH]c3nccc(OCC4(C)CCNCC4)c23)ccc1C#N
InChIInChI=1S/C22H24N4O/c1-15-11-16(3-4-17(15)12-23)18-13-26-21-20(18)19(5-8-25-21)27-14-22(2)6-9-24-10-7-22/h3-5,8,11,13,24H,6-7,9-10,14H2,1-2H3,(H,25,26)
InChIKeyTVJVKCCHLLBSQP-UHFFFAOYSA-N
XLogP4.18
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethyl-3-fluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine;thiohydroxylamine
CID 153397621
3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333330
3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333366
N-[[3-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]acetamide
CID 146333328
methanol;1-[4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-N-methylsulfanylethanamine
CID 153397533
3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333363
4-[(4-methylpiperidin-4-yl)methoxy]-3-(1-methylsulfanylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 153397459
3-(3,5-difluorophenyl)-4-[2-(4-methylpiperidin-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine
CID 153397598
3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine
CID 146401486
4-[4-[2,6-difluoro-4-[[5-(hydroxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-yl]amino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(trifluoromethyl)benzonitrile
CID 137435521
ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 145441189
3-[4-[2,6-difluoro-4-[[5-(hydroxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-yl]methyl]phenoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-fluorobenzonitrile
CID 167544639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile?
The IUPAC name of 2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile (CID 146333347) is 2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile?
The canonical SMILES for 2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile is Cc1cc(-c2c[nH]c3nccc(OCC4(C)CCNCC4)c23)ccc1C#N.
What is the InChIKey of 2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile?
The InChIKey is TVJVKCCHLLBSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-11-16(3-4-17(15)12-23)18-13-26-21-20(18)19(5-8-25-21)27-14-22(2)6-9-24-10-7-22/h3-5,8,11,13,24H,6-7,9-10,14H2,1-2H3,(H,25,26).
What are the key properties of 2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile?
2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile has a molecular weight of 360.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 146333347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).