[(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone

C19H23N5O2 — CID 97458425

IUPAC[(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
SMILESCc1cccc(CO[C@@H]2C[C@H]3CN(C(=O)c4cnccn4)CCN3C2)n1
InChIInChI=1S/C19H23N5O2/c1-14-3-2-4-15(22-14)13-26-17-9-16-11-24(8-7-23(16)12-17)19(25)18-10-20-5-6-21-18/h2-6,10,16-17H,7-9,11-13H2,1H3/t16-,17+/m0/s1
InChIKeyRQCFGSJPRKTTLW-DLBZAZTESA-N
MW353.43 g/mol
LogP1.30
Rot. Bonds4

About [(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone

[(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone (PubChem CID 97458425) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
PubChem CID97458425
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
SMILESCc1cccc(CO[C@@H]2C[C@H]3CN(C(=O)c4cnccn4)CCN3C2)n1
InChIInChI=1S/C19H23N5O2/c1-14-3-2-4-15(22-14)13-26-17-9-16-11-24(8-7-23(16)12-17)19(25)18-10-20-5-6-21-18/h2-6,10,16-17H,7-9,11-13H2,1H3/t16-,17+/m0/s1
InChIKeyRQCFGSJPRKTTLW-DLBZAZTESA-N
XLogP1.30
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone (CID 97458425) is [(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone is Cc1cccc(CO[C@@H]2C[C@H]3CN(C(=O)c4cnccn4)CCN3C2)n1.
What is the InChIKey of [(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
The InChIKey is RQCFGSJPRKTTLW-DLBZAZTESA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-3-2-4-15(22-14)13-26-17-9-16-11-24(8-7-23(16)12-17)19(25)18-10-20-5-6-21-18/h2-6,10,16-17H,7-9,11-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of [(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
[(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone has a molecular weight of 353.43 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97458425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).