(8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone

C23H24FN3O — CID 143724921

IUPAC(8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ncc2c(F)cccn12)N1CCC(c2ccccc2)C2CCCCC21
InChIInChI=1S/C23H24FN3O/c24-19-10-6-13-26-21(19)15-25-22(26)23(28)27-14-12-17(16-7-2-1-3-8-16)18-9-4-5-11-20(18)27/h1-3,6-8,10,13,15,17-18,20H,4-5,9,11-12,14H2
InChIKeyYUIFVYZXNICQKS-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.66
Rot. Bonds2

About (8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone

(8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone (PubChem CID 143724921) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is (8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
PubChem CID143724921
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name(8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ncc2c(F)cccn12)N1CCC(c2ccccc2)C2CCCCC21
InChIInChI=1S/C23H24FN3O/c24-19-10-6-13-26-21(19)15-25-22(26)23(28)27-14-12-17(16-7-2-1-3-8-16)18-9-4-5-11-20(18)27/h1-3,6-8,10,13,15,17-18,20H,4-5,9,11-12,14H2
InChIKeyYUIFVYZXNICQKS-UHFFFAOYSA-N
XLogP4.66
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone (CID 143724921) is (8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone is O=C(c1ncc2c(F)cccn12)N1CCC(c2ccccc2)C2CCCCC21.
What is the InChIKey of (8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The InChIKey is YUIFVYZXNICQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-19-10-6-13-26-21(19)15-25-22(26)23(28)27-14-12-17(16-7-2-1-3-8-16)18-9-4-5-11-20(18)27/h1-3,6-8,10,13,15,17-18,20H,4-5,9,11-12,14H2.
What are the key properties of (8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
(8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone has a molecular weight of 377.46 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 143724921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).