(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C20H22F3N5O — CID 89465980

IUPAC(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC(F)(F)c1cccc(N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)n1
InChIInChI=1S/C20H22F3N5O/c21-20(22,23)17-2-1-3-18(26-17)28-7-6-27-12-15(8-14(27)11-28)29-19-10-24-16(9-25-19)13-4-5-13/h1-3,9-10,13-15H,4-8,11-12H2/t14-,15+/m0/s1
InChIKeySRQVVAIKUUMKPO-LSDHHAIUSA-N
MW405.42 g/mol
LogP3.11
Rot. Bonds4

About (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 89465980) has the molecular formula C20H22F3N5O and a molecular weight of 405.42 g/mol. Its IUPAC name is (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID89465980
Molecular FormulaC20H22F3N5O
Molecular Weight405.42 g/mol
Exact Mass405.18
IUPAC Name(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC(F)(F)c1cccc(N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)n1
InChIInChI=1S/C20H22F3N5O/c21-20(22,23)17-2-1-3-18(26-17)28-7-6-27-12-15(8-14(27)11-28)29-19-10-24-16(9-25-19)13-4-5-13/h1-3,9-10,13-15H,4-8,11-12H2/t14-,15+/m0/s1
InChIKeySRQVVAIKUUMKPO-LSDHHAIUSA-N
XLogP3.11
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 89465980) is (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is FC(F)(F)c1cccc(N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)n1.
What is the InChIKey of (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is SRQVVAIKUUMKPO-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H22F3N5O/c21-20(22,23)17-2-1-3-18(26-17)28-7-6-27-12-15(8-14(27)11-28)29-19-10-24-16(9-25-19)13-4-5-13/h1-3,9-10,13-15H,4-8,11-12H2/t14-,15+/m0/s1.
What are the key properties of (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 405.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 89465980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).