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

C17H22FN3O — CID 75537089

IUPAC(8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccc(F)cc2)C[C@H]2CN(CC3CC3)CCN12
InChIInChI=1S/C17H22FN3O/c18-15-5-3-14(4-6-15)10-20-12-16-11-19(9-13-1-2-13)7-8-21(16)17(20)22/h3-6,13,16H,1-2,7-12H2/t16-/m1/s1
InChIKeyGBNCTOIBGLMMKP-MRXNPFEDSA-N
MW303.38 g/mol
LogP2.16
Rot. Bonds4

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

(8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537089) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is (8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537089
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name(8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccc(F)cc2)C[C@H]2CN(CC3CC3)CCN12
InChIInChI=1S/C17H22FN3O/c18-15-5-3-14(4-6-15)10-20-12-16-11-19(9-13-1-2-13)7-8-21(16)17(20)22/h3-6,13,16H,1-2,7-12H2/t16-/m1/s1
InChIKeyGBNCTOIBGLMMKP-MRXNPFEDSA-N
XLogP2.16
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537089) is (8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(CC3CC3)CCN12.
What is the InChIKey of (8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is GBNCTOIBGLMMKP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22FN3O/c18-15-5-3-14(4-6-15)10-20-12-16-11-19(9-13-1-2-13)7-8-21(16)17(20)22/h3-6,13,16H,1-2,7-12H2/t16-/m1/s1.
What are the key properties of (8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 303.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).