(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone

C16H20N4O2 — CID 125013670

IUPAC(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
SMILESCn1cccc1C(=O)N1CCOC[C@H]1CCc1cnccn1
InChIInChI=1S/C16H20N4O2/c1-19-8-2-3-15(19)16(21)20-9-10-22-12-14(20)5-4-13-11-17-6-7-18-13/h2-3,6-8,11,14H,4-5,9-10,12H2,1H3/t14-/m1/s1
InChIKeyWGUIKFIJIYIZIP-CQSZACIVSA-N
MW300.36 g/mol
LogP1.29
Rot. Bonds4

About (1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone

(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone (PubChem CID 125013670) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
PubChem CID125013670
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
SMILESCn1cccc1C(=O)N1CCOC[C@H]1CCc1cnccn1
InChIInChI=1S/C16H20N4O2/c1-19-8-2-3-15(19)16(21)20-9-10-22-12-14(20)5-4-13-11-17-6-7-18-13/h2-3,6-8,11,14H,4-5,9-10,12H2,1H3/t14-/m1/s1
InChIKeyWGUIKFIJIYIZIP-CQSZACIVSA-N
XLogP1.29
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone (CID 125013670) is (1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone is Cn1cccc1C(=O)N1CCOC[C@H]1CCc1cnccn1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone?
The InChIKey is WGUIKFIJIYIZIP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-8-2-3-15(19)16(21)20-9-10-22-12-14(20)5-4-13-11-17-6-7-18-13/h2-3,6-8,11,14H,4-5,9-10,12H2,1H3/t14-/m1/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone?
(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 125013670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).