(7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C17H25N3O — CID 97386240

IUPAC(7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cccc(N2CCN3C[C@H](OCC4CC4)C[C@H]3C2)n1
InChIInChI=1S/C17H25N3O/c1-13-3-2-4-17(18-13)20-8-7-19-11-16(9-15(19)10-20)21-12-14-5-6-14/h2-4,14-16H,5-12H2,1H3/t15-,16+/m0/s1
InChIKeyNTSXZNSYZYPNBS-JKSUJKDBSA-N
MW287.41 g/mol
LogP2.08
Rot. Bonds4

About (7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 97386240) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID97386240
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cccc(N2CCN3C[C@H](OCC4CC4)C[C@H]3C2)n1
InChIInChI=1S/C17H25N3O/c1-13-3-2-4-17(18-13)20-8-7-19-11-16(9-15(19)10-20)21-12-14-5-6-14/h2-4,14-16H,5-12H2,1H3/t15-,16+/m0/s1
InChIKeyNTSXZNSYZYPNBS-JKSUJKDBSA-N
XLogP2.08
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 97386240) is (7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Cc1cccc(N2CCN3C[C@H](OCC4CC4)C[C@H]3C2)n1.
What is the InChIKey of (7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is NTSXZNSYZYPNBS-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-3-2-4-17(18-13)20-8-7-19-11-16(9-15(19)10-20)21-12-14-5-6-14/h2-4,14-16H,5-12H2,1H3/t15-,16+/m0/s1.
What are the key properties of (7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 287.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 97386240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).