[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone

C19H21N5O2 — CID 100618627

IUPAC[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone
SMILESCN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cc4ccccn4c3)C2)n1
InChIInChI=1S/C19H21N5O2/c1-22(2)17-10-20-11-18(21-17)26-16-6-8-24(13-16)19(25)14-9-15-5-3-4-7-23(15)12-14/h3-5,7,9-12,16H,6,8,13H2,1-2H3/t16-/m1/s1
InChIKeyZZMKBLAKBDDPQG-MRXNPFEDSA-N
MW351.41 g/mol
LogP2.09
Rot. Bonds4

About [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone

[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone (PubChem CID 100618627) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone
PubChem CID100618627
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone
SMILESCN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cc4ccccn4c3)C2)n1
InChIInChI=1S/C19H21N5O2/c1-22(2)17-10-20-11-18(21-17)26-16-6-8-24(13-16)19(25)14-9-15-5-3-4-7-23(15)12-14/h3-5,7,9-12,16H,6,8,13H2,1-2H3/t16-/m1/s1
InChIKeyZZMKBLAKBDDPQG-MRXNPFEDSA-N
XLogP2.09
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 90637779
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 100619229
4-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]benzonitrile
CID 100617659
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 91627088
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 90637713
[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100617746
N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 91627152
ethyl 3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 90637870
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 90638060
[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 100619286
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-ethoxyethanone
CID 91627081
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 90637953

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone?
The IUPAC name of [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone (CID 100618627) is [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone?
The canonical SMILES for [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone is CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cc4ccccn4c3)C2)n1.
What is the InChIKey of [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone?
The InChIKey is ZZMKBLAKBDDPQG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-22(2)17-10-20-11-18(21-17)26-16-6-8-24(13-16)19(25)14-9-15-5-3-4-7-23(15)12-14/h3-5,7,9-12,16H,6,8,13H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone?
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone is sourced from PubChem (CID 100618627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).