(4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C17H21N3O — CID 124911929

IUPAC(4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ccc(OC[C@@H]2CN(C3CCC3)Cc3cccn32)nc1
InChIInChI=1S/C17H21N3O/c1-2-9-18-17(8-1)21-13-16-12-19(14-5-3-6-14)11-15-7-4-10-20(15)16/h1-2,4,7-10,14,16H,3,5-6,11-13H2/t16-/m0/s1
InChIKeyWHQIWTZPMITFRO-INIZCTEOSA-N
MW283.38 g/mol
LogP2.87
Rot. Bonds4

About (4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

(4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 124911929) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID124911929
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ccc(OC[C@@H]2CN(C3CCC3)Cc3cccn32)nc1
InChIInChI=1S/C17H21N3O/c1-2-9-18-17(8-1)21-13-16-12-19(14-5-3-6-14)11-15-7-4-10-20(15)16/h1-2,4,7-10,14,16H,3,5-6,11-13H2/t16-/m0/s1
InChIKeyWHQIWTZPMITFRO-INIZCTEOSA-N
XLogP2.87
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 124792122
5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171693010
2-(furan-2-yl)-1-[4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 133141046
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 141201313
pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 133144323
(7R)-5-cyclobutyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124911912
2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone
CID 131659576
2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine
CID 70082064
(5R)-7-(furan-3-ylmethyl)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124803021
5-(pyridin-2-ylmethyl)-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131678215
(4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 124909588
2-methylsulfonyl-1-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 133139399

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 124911929) is (4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is c1ccc(OC[C@@H]2CN(C3CCC3)Cc3cccn32)nc1.
What is the InChIKey of (4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is WHQIWTZPMITFRO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-9-18-17(8-1)21-13-16-12-19(14-5-3-6-14)11-15-7-4-10-20(15)16/h1-2,4,7-10,14,16H,3,5-6,11-13H2/t16-/m0/s1.
What are the key properties of (4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
(4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 283.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 124911929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).