1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea

C18H18N4O3 — CID 122187689

IUPAC1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cccc2c1[C@@H]1C[C@H](O)CCN1C2=O
InChIInChI=1S/C18H18N4O3/c23-11-7-9-22-14(10-11)16-12(17(22)24)4-3-5-13(16)20-18(25)21-15-6-1-2-8-19-15/h1-6,8,11,14,23H,7,9-10H2,(H2,19,20,21,25)/t11-,14+/m1/s1
InChIKeyIARSDYUAZJAUIM-RISCZKNCSA-N
MW338.37 g/mol
LogP2.38
Rot. Bonds2

About 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea

1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea (PubChem CID 122187689) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea
PubChem CID122187689
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cccc2c1[C@@H]1C[C@H](O)CCN1C2=O
InChIInChI=1S/C18H18N4O3/c23-11-7-9-22-14(10-11)16-12(17(22)24)4-3-5-13(16)20-18(25)21-15-6-1-2-8-19-15/h1-6,8,11,14,23H,7,9-10H2,(H2,19,20,21,25)/t11-,14+/m1/s1
InChIKeyIARSDYUAZJAUIM-RISCZKNCSA-N
XLogP2.38
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(Pyrrolidino(2,1-B)Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea
CID 445840
1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-pyridin-2-ylurea
CID 11130623
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-4-ylurea
CID 46908048
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-fluoro-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 46909509
1-(6-Oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dithiolane]-10-yl)-3-pyridin-2-ylurea
CID 46909510
1-(5-bromo-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 46909512
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea (CID 122187689) is 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)Nc1cccc2c1[C@@H]1C[C@H](O)CCN1C2=O.
What is the InChIKey of 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea?
The InChIKey is IARSDYUAZJAUIM-RISCZKNCSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-11-7-9-22-14(10-11)16-12(17(22)24)4-3-5-13(16)20-18(25)21-15-6-1-2-8-19-15/h1-6,8,11,14,23H,7,9-10H2,(H2,19,20,21,25)/t11-,14+/m1/s1.
What are the key properties of 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea?
1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea has a molecular weight of 338.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyridin-2-ylurea is sourced from PubChem (CID 122187689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).