1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea

C19H21N5O3 — CID 122187751

IUPAC1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea
SMILESCO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4cnc(C)cn4)c3[C@@H]2C1
InChIInChI=1S/C19H21N5O3/c1-11-9-21-16(10-20-11)23-19(26)22-14-5-3-4-13-17(14)15-8-12(27-2)6-7-24(15)18(13)25/h3-5,9-10,12,15H,6-8H2,1-2H3,(H2,21,22,23,26)/t12-,15+/m1/s1
InChIKeyDEDLKMNQMUPQOI-DOMZBBRYSA-N
MW367.41 g/mol
LogP2.73
Rot. Bonds3

About 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea

1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea (PubChem CID 122187751) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea
PubChem CID122187751
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea
SMILESCO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4cnc(C)cn4)c3[C@@H]2C1
InChIInChI=1S/C19H21N5O3/c1-11-9-21-16(10-20-11)23-19(26)22-14-5-3-4-13-17(14)15-8-12(27-2)6-7-24(15)18(13)25/h3-5,9-10,12,15H,6-8H2,1-2H3,(H2,21,22,23,26)/t12-,15+/m1/s1
InChIKeyDEDLKMNQMUPQOI-DOMZBBRYSA-N
XLogP2.73
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea with MolForge

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Related Compounds

3-oxo-N-(5-phenylpyrazin-2-yl)spiro[isoindoline-1,4''-piperidine]-1''-carboxamide
CID 9822252
1-(5-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 46908049
1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 46909508
1-(6-Oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea
CID 67134733
1-(6-Oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea
CID 67134967
1-(6-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67135258
1-(2,6-Dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea
CID 67135489
1-(3-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67135729
1-(6-Methylpyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea
CID 67135774
1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67283393
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea
CID 67283829
1-(4-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67283926

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea?
The IUPAC name of 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea (CID 122187751) is 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea.
What is the SMILES notation for 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea?
The canonical SMILES for 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea is CO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4cnc(C)cn4)c3[C@@H]2C1.
What is the InChIKey of 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea?
The InChIKey is DEDLKMNQMUPQOI-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-9-21-16(10-20-11)23-19(26)22-14-5-3-4-13-17(14)15-8-12(27-2)6-7-24(15)18(13)25/h3-5,9-10,12,15H,6-8H2,1-2H3,(H2,21,22,23,26)/t12-,15+/m1/s1.
What are the key properties of 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea?
1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea has a molecular weight of 367.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(5-methylpyrazin-2-yl)urea is sourced from PubChem (CID 122187751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).