(8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C14H19FN4O — CID 176651071

IUPAC(8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C)c1cnc(N2CCN3C(=O)NC[C@H]3C2)c(F)c1
InChIInChI=1S/C14H19FN4O/c1-9(2)10-5-12(15)13(16-6-10)18-3-4-19-11(8-18)7-17-14(19)20/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyBCYTVWILAVMEIL-NSHDSACASA-N
MW278.33 g/mol
LogP1.56
Rot. Bonds2

About (8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 176651071) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is (8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID176651071
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name(8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C)c1cnc(N2CCN3C(=O)NC[C@H]3C2)c(F)c1
InChIInChI=1S/C14H19FN4O/c1-9(2)10-5-12(15)13(16-6-10)18-3-4-19-11(8-18)7-17-14(19)20/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyBCYTVWILAVMEIL-NSHDSACASA-N
XLogP1.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091952
7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095260
7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80922945
7-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 137009803
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile
CID 79091673
7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80958788
7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114393184
7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091486
7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 115940487
7-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091966
7-(2-amino-5-fluoro-4-iodophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091718
7-(2-amino-5-bromo-4-fluorophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 116736084

Frequently Asked Questions

What is the IUPAC name of (8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 176651071) is (8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC(C)c1cnc(N2CCN3C(=O)NC[C@H]3C2)c(F)c1.
What is the InChIKey of (8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is BCYTVWILAVMEIL-NSHDSACASA-N. The full InChI is InChI=1S/C14H19FN4O/c1-9(2)10-5-12(15)13(16-6-10)18-3-4-19-11(8-18)7-17-14(19)20/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 278.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 176651071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).