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

C22H18F2N4O2 — CID 90298333

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone
SMILESO=C(c1cccc2cncn12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C22H18F2N4O2/c23-22(24)10-11-27(21(29)18-7-3-5-16-12-25-14-28(16)18)13-19(22)30-20-9-8-15-4-1-2-6-17(15)26-20/h1-9,12,14,19H,10-11,13H2
InChIKeyAYSZLOKFUQJLFZ-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.81
Rot. Bonds3

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

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone (PubChem CID 90298333) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone
PubChem CID90298333
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone
SMILESO=C(c1cccc2cncn12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C22H18F2N4O2/c23-22(24)10-11-27(21(29)18-7-3-5-16-12-25-14-28(16)18)13-19(22)30-20-9-8-15-4-1-2-6-17(15)26-20/h1-9,12,14,19H,10-11,13H2
InChIKeyAYSZLOKFUQJLFZ-UHFFFAOYSA-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 (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone (CID 90298333) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone is O=C(c1cccc2cncn12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone?
The InChIKey is AYSZLOKFUQJLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c23-22(24)10-11-27(21(29)18-7-3-5-16-12-25-14-28(16)18)13-19(22)30-20-9-8-15-4-1-2-6-17(15)26-20/h1-9,12,14,19H,10-11,13H2.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-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 (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-5-ylmethanone is sourced from PubChem (CID 90298333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).