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

C17H25N5 — CID 117161227

IUPAC3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1Cn1c(CC2CCNC2)nc2cccnc21
InChIInChI=1S/C17H25N5/c1-21-9-3-4-14(21)12-22-16(10-13-6-8-18-11-13)20-15-5-2-7-19-17(15)22/h2,5,7,13-14,18H,3-4,6,8-12H2,1H3
InChIKeyONSPIGHQSKUVHE-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.68
Rot. Bonds4

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

3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161227) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161227
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1Cn1c(CC2CCNC2)nc2cccnc21
InChIInChI=1S/C17H25N5/c1-21-9-3-4-14(21)12-22-16(10-13-6-8-18-11-13)20-15-5-2-7-19-17(15)22/h2,5,7,13-14,18H,3-4,6,8-12H2,1H3
InChIKeyONSPIGHQSKUVHE-UHFFFAOYSA-N
XLogP1.68
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294737
3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163871
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937
2-[(1-methylpyrrolidin-2-yl)methyl]-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163233
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234
2-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163166
2-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117163216
3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161648
3-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117163152
2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164354

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117161227) is 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine is CN1CCCC1Cn1c(CC2CCNC2)nc2cccnc21.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is ONSPIGHQSKUVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-21-9-3-4-14(21)12-22-16(10-13-6-8-18-11-13)20-15-5-2-7-19-17(15)22/h2,5,7,13-14,18H,3-4,6,8-12H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 299.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).