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

C19H20N4O3 — CID 122187749

IUPAC1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)Nc1cccc2c1[C@@H]1C[C@H](O)CCN1C2=O
InChIInChI=1S/C19H20N4O3/c1-11-4-3-8-20-17(11)22-19(26)21-14-6-2-5-13-16(14)15-10-12(24)7-9-23(15)18(13)25/h2-6,8,12,15,24H,7,9-10H2,1H3,(H2,20,21,22,26)/t12-,15+/m1/s1
InChIKeyHGUSGBLHYRXWQF-DOMZBBRYSA-N
MW352.39 g/mol
LogP2.69
Rot. Bonds2

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

1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(3-methyl-2-pyridinyl)urea (PubChem CID 122187749) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 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-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(3-methyl-2-pyridinyl)urea
PubChem CID122187749
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)Nc1cccc2c1[C@@H]1C[C@H](O)CCN1C2=O
InChIInChI=1S/C19H20N4O3/c1-11-4-3-8-20-17(11)22-19(26)21-14-6-2-5-13-16(14)15-10-12(24)7-9-23(15)18(13)25/h2-6,8,12,15,24H,7,9-10H2,1H3,(H2,20,21,22,26)/t12-,15+/m1/s1
InChIKeyHGUSGBLHYRXWQF-DOMZBBRYSA-N
XLogP2.69
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.69
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-(3-methyl-2-pyridinyl)urea with MolForge

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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-(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
1-(3-methylpyrazin-2-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67135729

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-(3-methyl-2-pyridinyl)urea?
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-(3-methyl-2-pyridinyl)urea (CID 122187749) is 1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(3-methyl-2-pyridinyl)urea.
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-(3-methyl-2-pyridinyl)urea?
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-(3-methyl-2-pyridinyl)urea is Cc1cccnc1NC(=O)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-(3-methyl-2-pyridinyl)urea?
The InChIKey is HGUSGBLHYRXWQF-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-4-3-8-20-17(11)22-19(26)21-14-6-2-5-13-16(14)15-10-12(24)7-9-23(15)18(13)25/h2-6,8,12,15,24H,7,9-10H2,1H3,(H2,20,21,22,26)/t12-,15+/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-(3-methyl-2-pyridinyl)urea?
1-[(2R,10bS)-2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 352.39 g/mol, XLogP of 2.69, 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-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 122187749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).