1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol

C16H21BrClN3O2 — CID 118647405

IUPAC1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC[C@@H](COc2cc(Br)c(Cl)n3cncc23)C1
InChIInChI=1S/C16H21BrClN3O2/c1-11(22)7-20-4-2-3-12(8-20)9-23-15-5-13(17)16(18)21-10-19-6-14(15)21/h5-6,10-12,22H,2-4,7-9H2,1H3/t11?,12-/m1/s1
InChIKeyKMERCHBFQJENJS-PIJUOVFKSA-N
MW402.72 g/mol
LogP3.22
Rot. Bonds5

About 1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol

1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol (PubChem CID 118647405) has the molecular formula C16H21BrClN3O2 and a molecular weight of 402.72 g/mol. Its IUPAC name is 1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol
PubChem CID118647405
Molecular FormulaC16H21BrClN3O2
Molecular Weight402.72 g/mol
Exact Mass401.05
IUPAC Name1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC[C@@H](COc2cc(Br)c(Cl)n3cncc23)C1
InChIInChI=1S/C16H21BrClN3O2/c1-11(22)7-20-4-2-3-12(8-20)9-23-15-5-13(17)16(18)21-10-19-6-14(15)21/h5-6,10-12,22H,2-4,7-9H2,1H3/t11?,12-/m1/s1
InChIKeyKMERCHBFQJENJS-PIJUOVFKSA-N
XLogP3.22
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-chloro-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridine
CID 118647402
(2E,4E)-5-[5-chloro-8-[[(3R)-1-ethylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]-2-ethenylhexa-2,4-dienenitrile
CID 137470117
4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-8-[[(3R)-1-ethylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647354
4-[5-(5,6-dimethyl-3-pyridinyl)-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647388
4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647477
(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 106933676
1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 102984754
(3S)-3-[(3-bromophenoxy)methyl]-1-(2,2-difluoroethyl)piperidine;hydrochloride
CID 165429338
1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121
4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647425
4-[5-(5,6-dimethyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647481
(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride
CID 170983124

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol (CID 118647405) is 1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol is CC(O)CN1CCC[C@@H](COc2cc(Br)c(Cl)n3cncc23)C1.
What is the InChIKey of 1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol?
The InChIKey is KMERCHBFQJENJS-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H21BrClN3O2/c1-11(22)7-20-4-2-3-12(8-20)9-23-15-5-13(17)16(18)21-10-19-6-14(15)21/h5-6,10-12,22H,2-4,7-9H2,1H3/t11?,12-/m1/s1.
What are the key properties of 1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol?
1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol has a molecular weight of 402.72 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(6-bromo-5-chloroimidazo[1,5-a]pyridin-8-yl)oxymethyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 118647405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).