6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one

C16H18N4O2 — CID 126834094

IUPAC6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one
SMILESCOCCN(C)c1ccc(C=C2Cn3ccnc3C2=O)cn1
InChIInChI=1S/C16H18N4O2/c1-19(7-8-22-2)14-4-3-12(10-18-14)9-13-11-20-6-5-17-16(20)15(13)21/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyCXNVHHOUFJWAFR-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.64
Rot. Bonds5

About 6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one

6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one (PubChem CID 126834094) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one.

Molecular Properties

Compound Name6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one
PubChem CID126834094
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one
SMILESCOCCN(C)c1ccc(C=C2Cn3ccnc3C2=O)cn1
InChIInChI=1S/C16H18N4O2/c1-19(7-8-22-2)14-4-3-12(10-18-14)9-13-11-20-6-5-17-16(20)15(13)21/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyCXNVHHOUFJWAFR-UHFFFAOYSA-N
XLogP1.64
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-methyl-5-[(E)-2-pyridazin-3-ylethenyl]pyridin-2-amine
CID 167980201
N-(2-methoxyethyl)-N-methyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyridin-2-amine
CID 136545498
(E)-1-(3,4-dihydroxy-5-methylphenyl)-3-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]prop-2-en-1-one
CID 167753068
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 124846522
N-(2-methoxyethyl)-N-methyl-5-[(2-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120837108
N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124729154
N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124729153
1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 119047897
N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120840257
[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 28956848
N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124847594

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one?
The IUPAC name of 6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one (CID 126834094) is 6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one.
What is the SMILES notation for 6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one?
The canonical SMILES for 6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one is COCCN(C)c1ccc(C=C2Cn3ccnc3C2=O)cn1.
What is the InChIKey of 6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one?
The InChIKey is CXNVHHOUFJWAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19(7-8-22-2)14-4-3-12(10-18-14)9-13-11-20-6-5-17-16(20)15(13)21/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one?
6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one has a molecular weight of 298.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylidene]-5H-pyrrolo[1,2-a]imidazol-7-one is sourced from PubChem (CID 126834094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).