1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one

C17H24N4O2 — CID 110098691

IUPAC1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC1c1cn2cccc2c(N(C)C)n1
InChIInChI=1S/C17H24N4O2/c1-19(2)17-15-7-4-9-20(15)12-13(18-17)14-6-5-10-21(14)16(22)8-11-23-3/h4,7,9,12,14H,5-6,8,10-11H2,1-3H3
InChIKeyVQYLGFXLKQVIIE-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.10
Rot. Bonds5

About 1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one

1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one (PubChem CID 110098691) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
PubChem CID110098691
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC1c1cn2cccc2c(N(C)C)n1
InChIInChI=1S/C17H24N4O2/c1-19(2)17-15-7-4-9-20(15)12-13(18-17)14-6-5-10-21(14)16(22)8-11-23-3/h4,7,9,12,14H,5-6,8,10-11H2,1-3H3
InChIKeyVQYLGFXLKQVIIE-UHFFFAOYSA-N
XLogP2.10
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124961091
[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110098694
[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone
CID 110110920
[(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 125024124
3-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N,N-dimethylpyrrolo[1,2-a]pyrazin-1-amine
CID 124970525
N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 124985854
N,N-dimethyl-3-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 125009007
3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 124978104
N,N-dimethyl-3-[(2R)-piperidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 129406964
(2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone
CID 124963279
methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117136523
(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 99831648

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one (CID 110098691) is 1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCCC1c1cn2cccc2c(N(C)C)n1.
What is the InChIKey of 1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is VQYLGFXLKQVIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19(2)17-15-7-4-9-20(15)12-13(18-17)14-6-5-10-21(14)16(22)8-11-23-3/h4,7,9,12,14H,5-6,8,10-11H2,1-3H3.
What are the key properties of 1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one?
1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 316.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 110098691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).