[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone

C20H23N3O2 — CID 95889426

IUPAC[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone
SMILESCC[C@H]1c2cccn2CCN1C(=O)c1c(C)n(C)c2ccc(O)cc12
InChIInChI=1S/C20H23N3O2/c1-4-16-18-6-5-9-22(18)10-11-23(16)20(25)19-13(2)21(3)17-8-7-14(24)12-15(17)19/h5-9,12,16,24H,4,10-11H2,1-3H3/t16-/m0/s1
InChIKeyRCYNWDHDUZMDOU-INIZCTEOSA-N
MW337.42 g/mol
LogP3.60
Rot. Bonds2

About [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone

[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone (PubChem CID 95889426) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone
PubChem CID95889426
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone
SMILESCC[C@H]1c2cccn2CCN1C(=O)c1c(C)n(C)c2ccc(O)cc12
InChIInChI=1S/C20H23N3O2/c1-4-16-18-6-5-9-22(18)10-11-23(16)20(25)19-13(2)21(3)17-8-7-14(24)12-15(17)19/h5-9,12,16,24H,4,10-11H2,1-3H3/t16-/m0/s1
InChIKeyRCYNWDHDUZMDOU-INIZCTEOSA-N
XLogP3.60
TPSA50.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone?
The IUPAC name of [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone (CID 95889426) is [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone.
What is the SMILES notation for [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone?
The canonical SMILES for [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone is CC[C@H]1c2cccn2CCN1C(=O)c1c(C)n(C)c2ccc(O)cc12.
What is the InChIKey of [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone?
The InChIKey is RCYNWDHDUZMDOU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-16-18-6-5-9-22(18)10-11-23(16)20(25)19-13(2)21(3)17-8-7-14(24)12-15(17)19/h5-9,12,16,24H,4,10-11H2,1-3H3/t16-/m0/s1.
What are the key properties of [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone?
[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone has a molecular weight of 337.42 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone is sourced from PubChem (CID 95889426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).