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

C18H19N5O3 — CID 122187742

IUPAC1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyrazin-2-ylurea
SMILESCO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4cnccn4)c3[C@@H]2C1
InChIInChI=1S/C18H19N5O3/c1-26-11-5-8-23-14(9-11)16-12(17(23)24)3-2-4-13(16)21-18(25)22-15-10-19-6-7-20-15/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H2,20,21,22,25)/t11-,14+/m1/s1
InChIKeyVRSPGAKIMFTTJM-RISCZKNCSA-N
MW353.38 g/mol
LogP2.43
Rot. Bonds3

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

1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyrazin-2-ylurea (PubChem CID 122187742) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 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-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyrazin-2-ylurea
PubChem CID122187742
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyrazin-2-ylurea
SMILESCO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4cnccn4)c3[C@@H]2C1
InChIInChI=1S/C18H19N5O3/c1-26-11-5-8-23-14(9-11)16-12(17(23)24)3-2-4-13(16)21-18(25)22-15-10-19-6-7-20-15/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H2,20,21,22,25)/t11-,14+/m1/s1
InChIKeyVRSPGAKIMFTTJM-RISCZKNCSA-N
XLogP2.43
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.43
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-pyrazin-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

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-pyrazin-2-ylurea?
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-pyrazin-2-ylurea (CID 122187742) is 1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyrazin-2-ylurea.
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-pyrazin-2-ylurea?
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-pyrazin-2-ylurea is CO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4cnccn4)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-pyrazin-2-ylurea?
The InChIKey is VRSPGAKIMFTTJM-RISCZKNCSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-26-11-5-8-23-14(9-11)16-12(17(23)24)3-2-4-13(16)21-18(25)22-15-10-19-6-7-20-15/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H2,20,21,22,25)/t11-,14+/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-pyrazin-2-ylurea?
1-[(2R,10bS)-2-methoxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl]-3-pyrazin-2-ylurea has a molecular weight of 353.38 g/mol, XLogP of 2.43, 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-pyrazin-2-ylurea is sourced from PubChem (CID 122187742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).