2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol

C19H26N6O — CID 129189262

IUPAC2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol
SMILESC=Nc1[nH]cc(C)c1/C=C(\C)c1cncc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C19H26N6O/c1-14(10-16-15(2)11-22-19(16)20-3)17-12-21-13-18(23-17)25-6-4-24(5-7-25)8-9-26/h10-13,22,26H,3-9H2,1-2H3/b14-10+
InChIKeyJNAWFPXVBJAXSN-GXDHUFHOSA-N
MW354.46 g/mol
LogP2.12
Rot. Bonds6

About 2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol

2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 129189262) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol
PubChem CID129189262
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol
SMILESC=Nc1[nH]cc(C)c1/C=C(\C)c1cncc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C19H26N6O/c1-14(10-16-15(2)11-22-19(16)20-3)17-12-21-13-18(23-17)25-6-4-24(5-7-25)8-9-26/h10-13,22,26H,3-9H2,1-2H3/b14-10+
InChIKeyJNAWFPXVBJAXSN-GXDHUFHOSA-N
XLogP2.12
TPSA80.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol
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2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 107226836
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2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride
CID 23321170
2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol
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6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-amine
CID 80647233
N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine
CID 66456780
(5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 58207524

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol (CID 129189262) is 2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol is C=Nc1[nH]cc(C)c1/C=C(\C)c1cncc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is JNAWFPXVBJAXSN-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14(10-16-15(2)11-22-19(16)20-3)17-12-21-13-18(23-17)25-6-4-24(5-7-25)8-9-26/h10-13,22,26H,3-9H2,1-2H3/b14-10+.
What are the key properties of 2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 354.46 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(E)-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]pyrazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 129189262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).