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

C20H22F3N5O — CID 71548368

IUPAC(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC(F)(F)c1ccc(N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)nc1
InChIInChI=1S/C20H22F3N5O/c21-20(22,23)14-3-4-18(25-8-14)28-6-5-27-12-16(7-15(27)11-28)29-19-10-24-17(9-26-19)13-1-2-13/h3-4,8-10,13,15-16H,1-2,5-7,11-12H2/t15-,16+/m0/s1
InChIKeyMNQHYLKUVYADHH-JKSUJKDBSA-N
MW405.42 g/mol
LogP3.11
Rot. Bonds4

About (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[5-(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-[5-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 71548368) 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-[5-(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-[5-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID71548368
Molecular FormulaC20H22F3N5O
Molecular Weight405.42 g/mol
Exact Mass405.18
IUPAC Name(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC(F)(F)c1ccc(N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)nc1
InChIInChI=1S/C20H22F3N5O/c21-20(22,23)14-3-4-18(25-8-14)28-6-5-27-12-16(7-15(27)11-28)29-19-10-24-17(9-26-19)13-1-2-13/h3-4,8-10,13,15-16H,1-2,5-7,11-12H2/t15-,16+/m0/s1
InChIKeyMNQHYLKUVYADHH-JKSUJKDBSA-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-[5-(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-[5-(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-[5-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 71548368) is (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[5-(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-[5-(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-[5-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is FC(F)(F)c1ccc(N2CCN3C[C@H](Oc4cnc(C5CC5)cn4)C[C@H]3C2)nc1.
What is the InChIKey of (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is MNQHYLKUVYADHH-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H22F3N5O/c21-20(22,23)14-3-4-18(25-8-14)28-6-5-27-12-16(7-15(27)11-28)29-19-10-24-17(9-26-19)13-1-2-13/h3-4,8-10,13,15-16H,1-2,5-7,11-12H2/t15-,16+/m0/s1.
What are the key properties of (7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[5-(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-[5-(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-[5-(trifluoromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 71548368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).