5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine

C17H18N4 — CID 110100075

IUPAC5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine
SMILESc1cncc(CN2CCCC2c2cccc3nccn23)c1
InChIInChI=1S/C17H18N4/c1-5-16(21-11-9-19-17(21)7-1)15-6-3-10-20(15)13-14-4-2-8-18-12-14/h1-2,4-5,7-9,11-12,15H,3,6,10,13H2
InChIKeyXXGIMBMTOMHWAF-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.07
Rot. Bonds3

About 5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine

5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 110100075) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID110100075
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine
SMILESc1cncc(CN2CCCC2c2cccc3nccn23)c1
InChIInChI=1S/C17H18N4/c1-5-16(21-11-9-19-17(21)7-1)15-6-3-10-20(15)13-14-4-2-8-18-12-14/h1-2,4-5,7-9,11-12,15H,3,6,10,13H2
InChIKeyXXGIMBMTOMHWAF-UHFFFAOYSA-N
XLogP3.07
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 124972240
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
3-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 124992533
2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124941674
(1S)-5-chloro-9-(pyridin-3-ylmethyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
CID 146199989
2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817914
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838557
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994
7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162630693
2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838554
2-(1H-imidazol-2-yl)-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124992481
2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129339719

Frequently Asked Questions

What is the IUPAC name of 5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine (CID 110100075) is 5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine is c1cncc(CN2CCCC2c2cccc3nccn23)c1.
What is the InChIKey of 5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is XXGIMBMTOMHWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-5-16(21-11-9-19-17(21)7-1)15-6-3-10-20(15)13-14-4-2-8-18-12-14/h1-2,4-5,7-9,11-12,15H,3,6,10,13H2.
What are the key properties of 5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine?
5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 278.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 110100075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).