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

C20H23N3O2 — CID 97156148

IUPAC[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone
SMILESCC[C@H]1c2cccn2CCN1C(=O)c1cc2cc(OC)ccc2n1C
InChIInChI=1S/C20H23N3O2/c1-4-16-18-6-5-9-22(18)10-11-23(16)20(24)19-13-14-12-15(25-3)7-8-17(14)21(19)2/h5-9,12-13,16H,4,10-11H2,1-3H3/t16-/m0/s1
InChIKeyYTXRYXLAGKGQGN-INIZCTEOSA-N
MW337.42 g/mol
LogP3.60
Rot. Bonds3

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

[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone (PubChem CID 97156148) 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-methoxy-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone
PubChem CID97156148
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-methoxy-1-methylindol-2-yl)methanone
SMILESCC[C@H]1c2cccn2CCN1C(=O)c1cc2cc(OC)ccc2n1C
InChIInChI=1S/C20H23N3O2/c1-4-16-18-6-5-9-22(18)10-11-23(16)20(24)19-13-14-12-15(25-3)7-8-17(14)21(19)2/h5-9,12-13,16H,4,10-11H2,1-3H3/t16-/m0/s1
InChIKeyYTXRYXLAGKGQGN-INIZCTEOSA-N
XLogP3.60
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone
CID 95889426
1-(2,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580576
(2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 124948371
(1S)-N-(3,5-dimethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711989
ethyl 3-[[(1R)-1-(2,5-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 7589817
(1R)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589683
1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810890
1-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 97236526
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580577
(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methoxy-1-methylindol-2-yl)methanone
CID 70721266
N-(4-methoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965018
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 96578460

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone?
The IUPAC name of [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone (CID 97156148) is [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone.
What is the SMILES notation for [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone?
The canonical SMILES for [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone is CC[C@H]1c2cccn2CCN1C(=O)c1cc2cc(OC)ccc2n1C.
What is the InChIKey of [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone?
The InChIKey is YTXRYXLAGKGQGN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-16-18-6-5-9-22(18)10-11-23(16)20(24)19-13-14-12-15(25-3)7-8-17(14)21(19)2/h5-9,12-13,16H,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-methoxy-1-methylindol-2-yl)methanone?
[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone has a molecular weight of 337.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 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-methoxy-1-methylindol-2-yl)methanone is sourced from PubChem (CID 97156148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).