3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine

C15H22N4O — CID 117160046

IUPAC3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
SMILESCOCCCn1c(C2CCN(C)C2)nc2cccnc21
InChIInChI=1S/C15H22N4O/c1-18-9-6-12(11-18)14-17-13-5-3-7-16-15(13)19(14)8-4-10-20-2/h3,5,7,12H,4,6,8-11H2,1-2H3
InChIKeyQEVWXNFRLLSPHC-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.89
Rot. Bonds5

About 3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine

3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117160046) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
PubChem CID117160046
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
SMILESCOCCCn1c(C2CCN(C)C2)nc2cccnc21
InChIInChI=1S/C15H22N4O/c1-18-9-6-12(11-18)14-17-13-5-3-7-16-15(13)19(14)8-4-10-20-2/h3,5,7,12H,4,6,8-11H2,1-2H3
InChIKeyQEVWXNFRLLSPHC-UHFFFAOYSA-N
XLogP1.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117161749
3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160038
2-(1-methylpyrrolidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160142
3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 53191211
3-(1-methylpyrrolidin-2-yl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160229
3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160406
2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 87054401
3-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162749
bis((E)-but-2-enedioic acid);3-(2-ethoxyethyl)-2-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-b]pyridine
CID 67923199
[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110214
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine (CID 117160046) is 3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine is COCCCn1c(C2CCN(C)C2)nc2cccnc21.
What is the InChIKey of 3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is QEVWXNFRLLSPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-9-6-12(11-18)14-17-13-5-3-7-16-15(13)19(14)8-4-10-20-2/h3,5,7,12H,4,6,8-11H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 274.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).