[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

C20H23N5O3 — CID 100617948

IUPAC[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CC[C@H](Oc4cncc(N(C)C)n4)C3)[nH]c2c1
InChIInChI=1S/C20H23N5O3/c1-24(2)18-10-21-11-19(23-18)28-15-6-7-25(12-15)20(26)17-8-13-4-5-14(27-3)9-16(13)22-17/h4-5,8-11,15,22H,6-7,12H2,1-3H3/t15-/m0/s1
InChIKeyDYLXLAWVFMFCOL-HNNXBMFYSA-N
MW381.44 g/mol
LogP2.33
Rot. Bonds5

About [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (PubChem CID 100617948) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
PubChem CID100617948
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CC[C@H](Oc4cncc(N(C)C)n4)C3)[nH]c2c1
InChIInChI=1S/C20H23N5O3/c1-24(2)18-10-21-11-19(23-18)28-15-6-7-25(12-15)20(26)17-8-13-4-5-14(27-3)9-16(13)22-17/h4-5,8-11,15,22H,6-7,12H2,1-3H3/t15-/m0/s1
InChIKeyDYLXLAWVFMFCOL-HNNXBMFYSA-N
XLogP2.33
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (CID 100617948) is [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is COc1ccc2cc(C(=O)N3CC[C@H](Oc4cncc(N(C)C)n4)C3)[nH]c2c1.
What is the InChIKey of [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The InChIKey is DYLXLAWVFMFCOL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24(2)18-10-21-11-19(23-18)28-15-6-7-25(12-15)20(26)17-8-13-4-5-14(27-3)9-16(13)22-17/h4-5,8-11,15,22H,6-7,12H2,1-3H3/t15-/m0/s1.
What are the key properties of [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone has a molecular weight of 381.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 100617948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).