[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone

C22H18F2N4O2 — CID 134144954

IUPAC[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2cncc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C22H18F2N4O2/c23-22(24)9-11-27(21(29)16-5-3-10-28-14-25-12-18(16)28)13-19(22)30-20-8-7-15-4-1-2-6-17(15)26-20/h1-8,10,12,14,19H,9,11,13H2/t19-/m0/s1
InChIKeyHDXOKNFWVWBAOR-IBGZPJMESA-N
MW408.41 g/mol
LogP3.81
Rot. Bonds3

About [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone

[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone (PubChem CID 134144954) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone.

Molecular Properties

Compound Name[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone
PubChem CID134144954
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2cncc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C22H18F2N4O2/c23-22(24)9-11-27(21(29)16-5-3-10-28-14-25-12-18(16)28)13-19(22)30-20-8-7-15-4-1-2-6-17(15)26-20/h1-8,10,12,14,19H,9,11,13H2/t19-/m0/s1
InChIKeyHDXOKNFWVWBAOR-IBGZPJMESA-N
XLogP3.81
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone?
The IUPAC name of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone (CID 134144954) is [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone.
What is the SMILES notation for [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone?
The canonical SMILES for [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone is O=C(c1cccn2cncc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone?
The InChIKey is HDXOKNFWVWBAOR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H18F2N4O2/c23-22(24)9-11-27(21(29)16-5-3-10-28-14-25-12-18(16)28)13-19(22)30-20-8-7-15-4-1-2-6-17(15)26-20/h1-8,10,12,14,19H,9,11,13H2/t19-/m0/s1.
What are the key properties of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone?
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone has a molecular weight of 408.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone is sourced from PubChem (CID 134144954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).