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

C17H25N5 — CID 117163191

IUPAC3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(n2c(CC3CCCN3C)nc3cccnc32)C1
InChIInChI=1S/C17H25N5/c1-20-10-7-14(12-20)22-16(11-13-5-4-9-21(13)2)19-15-6-3-8-18-17(15)22/h3,6,8,13-14H,4-5,7,9-12H2,1-2H3
InChIKeyQHTZCZVRKMOSPS-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.94
Rot. Bonds3

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

3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117163191) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117163191
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(n2c(CC3CCCN3C)nc3cccnc32)C1
InChIInChI=1S/C17H25N5/c1-20-10-7-14(12-20)22-16(11-13-5-4-9-21(13)2)19-15-6-3-8-18-17(15)22/h3,6,8,13-14H,4-5,7,9-12H2,1-2H3
InChIKeyQHTZCZVRKMOSPS-UHFFFAOYSA-N
XLogP1.94
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117163216
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161554
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
2-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117159854
3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163261
2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117165386
2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117163675
2-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163166
2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53017611
3-cyclopentyl-2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163544
3-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117163152

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (CID 117163191) is 3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is CN1CCC(n2c(CC3CCCN3C)nc3cccnc32)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is QHTZCZVRKMOSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-20-10-7-14(12-20)22-16(11-13-5-4-9-21(13)2)19-15-6-3-8-18-17(15)22/h3,6,8,13-14H,4-5,7,9-12H2,1-2H3.
What are the key properties of 3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 299.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).