6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine

C16H19BrN4 — CID 98260186

IUPAC6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESBrc1ccc2ncc(CN3CC[C@H](N4CC=CC4)C3)n2c1
InChIInChI=1S/C16H19BrN4/c17-13-3-4-16-18-9-15(21(16)10-13)12-19-8-5-14(11-19)20-6-1-2-7-20/h1-4,9-10,14H,5-8,11-12H2/t14-/m0/s1
InChIKeyASRGRXPWEWUFNC-AWEZNQCLSA-N
MW347.26 g/mol
LogP2.54
Rot. Bonds3

About 6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine

6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 98260186) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID98260186
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESBrc1ccc2ncc(CN3CC[C@H](N4CC=CC4)C3)n2c1
InChIInChI=1S/C16H19BrN4/c17-13-3-4-16-18-9-15(21(16)10-13)12-19-8-5-14(11-19)20-6-1-2-7-20/h1-4,9-10,14H,5-8,11-12H2/t14-/m0/s1
InChIKeyASRGRXPWEWUFNC-AWEZNQCLSA-N
XLogP2.54
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 98260186) is 6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine is Brc1ccc2ncc(CN3CC[C@H](N4CC=CC4)C3)n2c1.
What is the InChIKey of 6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is ASRGRXPWEWUFNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19BrN4/c17-13-3-4-16-18-9-15(21(16)10-13)12-19-8-5-14(11-19)20-6-1-2-7-20/h1-4,9-10,14H,5-8,11-12H2/t14-/m0/s1.
What are the key properties of 6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 347.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 98260186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).