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

C17H25N5 — CID 117162694

IUPAC2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1c1nc2cccnc2n1CCN1CCCC1
InChIInChI=1S/C17H25N5/c1-20-9-5-7-15(20)17-19-14-6-4-8-18-16(14)22(17)13-12-21-10-2-3-11-21/h4,6,8,15H,2-3,5,7,9-13H2,1H3
InChIKeyNDTVWFLMZTYHRX-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.29
Rot. Bonds4

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

2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine (PubChem CID 117162694) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
PubChem CID117162694
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1c1nc2cccnc2n1CCN1CCCC1
InChIInChI=1S/C17H25N5/c1-20-9-5-7-15(20)17-19-14-6-4-8-18-16(14)22(17)13-12-21-10-2-3-11-21/h4,6,8,15H,2-3,5,7,9-13H2,1H3
InChIKeyNDTVWFLMZTYHRX-UHFFFAOYSA-N
XLogP2.29
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine (CID 117162694) is 2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine is CN1CCCC1c1nc2cccnc2n1CCN1CCCC1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The InChIKey is NDTVWFLMZTYHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-20-9-5-7-15(20)17-19-14-6-4-8-18-16(14)22(17)13-12-21-10-2-3-11-21/h4,6,8,15H,2-3,5,7,9-13H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine has a molecular weight of 299.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).