(8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C19H21FN4O — CID 75537084

IUPAC(8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3ccccn3)CCN12
InChIInChI=1S/C19H21FN4O/c20-16-6-4-15(5-7-16)11-23-14-18-13-22(9-10-24(18)19(23)25)12-17-3-1-2-8-21-17/h1-8,18H,9-14H2/t18-/m1/s1
InChIKeyLVZQTRHIKCAFLC-GOSISDBHSA-N
MW340.40 g/mol
LogP2.34
Rot. Bonds4

About (8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537084) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is (8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537084
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name(8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3ccccn3)CCN12
InChIInChI=1S/C19H21FN4O/c20-16-6-4-15(5-7-16)11-23-14-18-13-22(9-10-24(18)19(23)25)12-17-3-1-2-8-21-17/h1-8,18H,9-14H2/t18-/m1/s1
InChIKeyLVZQTRHIKCAFLC-GOSISDBHSA-N
XLogP2.34
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537084) is (8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3ccccn3)CCN12.
What is the InChIKey of (8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is LVZQTRHIKCAFLC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-16-6-4-15(5-7-16)11-23-14-18-13-22(9-10-24(18)19(23)25)12-17-3-1-2-8-21-17/h1-8,18H,9-14H2/t18-/m1/s1.
What are the key properties of (8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 340.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[(4-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).