5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine

C15H20ClN3 — CID 117141394

IUPAC5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
SMILESCC(C)N1CCC(Cc2ncc3cccc(Cl)n23)C1
InChIInChI=1S/C15H20ClN3/c1-11(2)18-7-6-12(10-18)8-15-17-9-13-4-3-5-14(16)19(13)15/h3-5,9,11-12H,6-8,10H2,1-2H3
InChIKeyQQVGVMXYKMKIFT-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.26
Rot. Bonds3

About 5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine

5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine (PubChem CID 117141394) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
PubChem CID117141394
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
SMILESCC(C)N1CCC(Cc2ncc3cccc(Cl)n23)C1
InChIInChI=1S/C15H20ClN3/c1-11(2)18-7-6-12(10-18)8-15-17-9-13-4-3-5-14(16)19(13)15/h3-5,9,11-12H,6-8,10H2,1-2H3
InChIKeyQQVGVMXYKMKIFT-UHFFFAOYSA-N
XLogP3.26
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146357
3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridin-5-amine
CID 117141377
[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
CID 117140724
8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine
CID 117146417
5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117141673
5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
CID 122607446
3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
CID 117149886
7-methoxy-3-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117143039
3-benzyl-5-chloroimidazo[1,5-a]pyridine
CID 117141926
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514
5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141402
3-[(1-ethylpiperidin-3-yl)methyl]-5-methoxyimidazo[1,5-a]pyridine
CID 117140525

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine?
The IUPAC name of 5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine (CID 117141394) is 5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine is CC(C)N1CCC(Cc2ncc3cccc(Cl)n23)C1.
What is the InChIKey of 5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine?
The InChIKey is QQVGVMXYKMKIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11(2)18-7-6-12(10-18)8-15-17-9-13-4-3-5-14(16)19(13)15/h3-5,9,11-12H,6-8,10H2,1-2H3.
What are the key properties of 5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine?
5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine has a molecular weight of 277.80 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 117141394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).