(1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one

C16H21N5O3 — CID 50958440

IUPAC(1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1C[C@H]2CC[C@@H](CN1)N2c1cncc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H21N5O3/c22-15-7-11-1-2-12(8-18-15)21(11)14-10-17-9-13(19-14)16(23)20-3-5-24-6-4-20/h9-12H,1-8H2,(H,18,22)/t11-,12+/m1/s1
InChIKeyWALRGIQIIBZMLM-NEPJUHHUSA-N
MW331.38 g/mol
LogP-0.19
Rot. Bonds2

About (1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one

(1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 50958440) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name(1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID50958440
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1C[C@H]2CC[C@@H](CN1)N2c1cncc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H21N5O3/c22-15-7-11-1-2-12(8-18-15)21(11)14-10-17-9-13(19-14)16(23)20-3-5-24-6-4-20/h9-12H,1-8H2,(H,18,22)/t11-,12+/m1/s1
InChIKeyWALRGIQIIBZMLM-NEPJUHHUSA-N
XLogP-0.19
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one with MolForge

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Related Compounds

[6-[(4R)-4-aminoazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 95725216
[6-(2-cyclopropylmorpholin-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 131932483
(5S)-2-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97152335
[6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 155498445
morpholin-4-yl-[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanone
CID 56872166
(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 106551253
morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone
CID 97192527
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
[6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 56865396
[6-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 122558953
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
(1-cyclopropylimidazol-4-yl)-morpholin-4-ylmethanone
CID 141277117

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of (1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 50958440) is (1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for (1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for (1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one is O=C1C[C@H]2CC[C@@H](CN1)N2c1cncc(C(=O)N2CCOCC2)n1.
What is the InChIKey of (1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is WALRGIQIIBZMLM-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-15-7-11-1-2-12(8-18-15)21(11)14-10-17-9-13(19-14)16(23)20-3-5-24-6-4-20/h9-12H,1-8H2,(H,18,22)/t11-,12+/m1/s1.
What are the key properties of (1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
(1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 331.38 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 50958440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).