(2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone

C20H17Cl2F2N3O — CID 54582173

IUPAC(2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)c1nc(CN2CCC(F)(F)CC2)c2ccccn12
InChIInChI=1S/C20H17Cl2F2N3O/c21-14-5-3-4-13(17(14)22)18(28)19-25-15(16-6-1-2-9-27(16)19)12-26-10-7-20(23,24)8-11-26/h1-6,9H,7-8,10-12H2
InChIKeySCAJGFRGQJAWBD-UHFFFAOYSA-N
MW424.28 g/mol
LogP5.10
Rot. Bonds4

About (2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone

(2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone (PubChem CID 54582173) has the molecular formula C20H17Cl2F2N3O and a molecular weight of 424.28 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone
PubChem CID54582173
Molecular FormulaC20H17Cl2F2N3O
Molecular Weight424.28 g/mol
Exact Mass423.07
IUPAC Name(2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)c1nc(CN2CCC(F)(F)CC2)c2ccccn12
InChIInChI=1S/C20H17Cl2F2N3O/c21-14-5-3-4-13(17(14)22)18(28)19-25-15(16-6-1-2-9-27(16)19)12-26-10-7-20(23,24)8-11-26/h1-6,9H,7-8,10-12H2
InChIKeySCAJGFRGQJAWBD-UHFFFAOYSA-N
XLogP5.10
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.28
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone (CID 54582173) is (2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone is O=C(c1cccc(Cl)c1Cl)c1nc(CN2CCC(F)(F)CC2)c2ccccn12.
What is the InChIKey of (2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is SCAJGFRGQJAWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F2N3O/c21-14-5-3-4-13(17(14)22)18(28)19-25-15(16-6-1-2-9-27(16)19)12-26-10-7-20(23,24)8-11-26/h1-6,9H,7-8,10-12H2.
What are the key properties of (2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone?
(2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 424.28 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 54582173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).