4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine

C16H17N4O+ — CID 123643985

IUPAC4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine
SMILESc1ccc(-c2c[nH]c3[nH+]cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-16-15(13)19-14(11-18-16)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18)/p+1
InChIKeyIWQTWTCSJABWHM-UHFFFAOYSA-O
MW281.34 g/mol
LogP1.88
Rot. Bonds2

About 4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine

4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine (PubChem CID 123643985) has the molecular formula C16H17N4O+ and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine.

Molecular Properties

Compound Name4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine
PubChem CID123643985
Molecular FormulaC16H17N4O+
Molecular Weight281.34 g/mol
Exact Mass281.14
IUPAC Name4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine
SMILESc1ccc(-c2c[nH]c3[nH+]cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-16-15(13)19-14(11-18-16)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18)/p+1
InChIKeyIWQTWTCSJABWHM-UHFFFAOYSA-O
XLogP1.88
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-morpholin-4-yl-5-phenyl-1H-pyridazin-6-one
CID 11680448
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
4-[4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869383
4-(6-methyl-4-phenylquinolin-2-yl)morpholine
CID 39860405
4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 1378888
4-(3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)morpholine
CID 11079290
6-morpholin-4-yl-2-phenoxy-4-phenylpyridine-3-carbonitrile
CID 154367571
N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155552072
4-(2-phenyl-1,3-oxazol-5-yl)morpholine
CID 13179056
5-(morpholine-4-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 134211396
4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine
CID 110172397
4-(5-nitro-6-phenyl-2-pyridinyl)morpholine
CID 133407232

Frequently Asked Questions

What is the IUPAC name of 4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine?
The IUPAC name of 4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine (CID 123643985) is 4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine.
What is the SMILES notation for 4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine?
The canonical SMILES for 4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine is c1ccc(-c2c[nH]c3[nH+]cc(N4CCOCC4)nc23)cc1.
What is the InChIKey of 4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine?
The InChIKey is IWQTWTCSJABWHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-16-15(13)19-14(11-18-16)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18)/p+1.
What are the key properties of 4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine?
4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine has a molecular weight of 281.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-2-yl)morpholine is sourced from PubChem (CID 123643985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).