6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline

C22H23N5 — CID 135137701

IUPAC6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline
SMILESCn1c(C2CCCN(Cc3ccc4nccnc4c3)C2)cc2ncccc21
InChIInChI=1S/C22H23N5/c1-26-21-5-2-8-23-20(21)13-22(26)17-4-3-11-27(15-17)14-16-6-7-18-19(12-16)25-10-9-24-18/h2,5-10,12-13,17H,3-4,11,14-15H2,1H3
InChIKeyONSCORRYAQBZJC-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.90
Rot. Bonds3

About 6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline

6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline (PubChem CID 135137701) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline
PubChem CID135137701
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline
SMILESCn1c(C2CCCN(Cc3ccc4nccnc4c3)C2)cc2ncccc21
InChIInChI=1S/C22H23N5/c1-26-21-5-2-8-23-20(21)13-22(26)17-4-3-11-27(15-17)14-16-6-7-18-19(12-16)25-10-9-24-18/h2,5-10,12-13,17H,3-4,11,14-15H2,1H3
InChIKeyONSCORRYAQBZJC-UHFFFAOYSA-N
XLogP3.90
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline 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

6-[[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
CID 119075050
6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
CID 126454219
6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124568885
6-N-methyl-4-N-[4-[(3S)-1-(quinoxalin-6-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 95837918
3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113146
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
N-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidin-3-amine
CID 105378976
3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566391
2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 99950414
(4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 92584156
(4-methylpiperidin-1-yl)-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228887

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline?
The IUPAC name of 6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline (CID 135137701) is 6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline.
What is the SMILES notation for 6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline?
The canonical SMILES for 6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline is Cn1c(C2CCCN(Cc3ccc4nccnc4c3)C2)cc2ncccc21.
What is the InChIKey of 6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline?
The InChIKey is ONSCORRYAQBZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-26-21-5-2-8-23-20(21)13-22(26)17-4-3-11-27(15-17)14-16-6-7-18-19(12-16)25-10-9-24-18/h2,5-10,12-13,17H,3-4,11,14-15H2,1H3.
What are the key properties of 6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline?
6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline has a molecular weight of 357.46 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]quinoxaline is sourced from PubChem (CID 135137701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).