1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid

C19H25N3O3 — CID 137385806

IUPAC1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid
SMILESO=C1N(c2ccc(C3(C(=O)O)CCCCC3)cc2)C[C@@H]2CNCCN12
InChIInChI=1S/C19H25N3O3/c23-17(24)19(8-2-1-3-9-19)14-4-6-15(7-5-14)22-13-16-12-20-10-11-21(16)18(22)25/h4-7,16,20H,1-3,8-13H2,(H,23,24)/t16-/m0/s1
InChIKeyUYLOJUBHXQNXKH-INIZCTEOSA-N
MW343.43 g/mol
LogP2.19
Rot. Bonds3

About 1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid

1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid (PubChem CID 137385806) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid
PubChem CID137385806
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid
SMILESO=C1N(c2ccc(C3(C(=O)O)CCCCC3)cc2)C[C@@H]2CNCCN12
InChIInChI=1S/C19H25N3O3/c23-17(24)19(8-2-1-3-9-19)14-4-6-15(7-5-14)22-13-16-12-20-10-11-21(16)18(22)25/h4-7,16,20H,1-3,8-13H2,(H,23,24)/t16-/m0/s1
InChIKeyUYLOJUBHXQNXKH-INIZCTEOSA-N
XLogP2.19
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid (CID 137385806) is 1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid is O=C1N(c2ccc(C3(C(=O)O)CCCCC3)cc2)C[C@@H]2CNCCN12.
What is the InChIKey of 1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is UYLOJUBHXQNXKH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17(24)19(8-2-1-3-9-19)14-4-6-15(7-5-14)22-13-16-12-20-10-11-21(16)18(22)25/h4-7,16,20H,1-3,8-13H2,(H,23,24)/t16-/m0/s1.
What are the key properties of 1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid?
1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 137385806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).