(4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one

C10H7N3O — CID 137154311

IUPAC(4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one
SMILESO=C1N=CN=C2c3ccccc3N[C@@H]12
InChIInChI=1S/C10H7N3O/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5,9,13H/t9-/m1/s1
InChIKeyFYXIDBCUEMZCDM-SECBINFHSA-N
MW185.19 g/mol
LogP0.84
Rot. Bonds

About (4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one

(4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one (PubChem CID 137154311) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is (4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name(4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one
PubChem CID137154311
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name(4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one
SMILESO=C1N=CN=C2c3ccccc3N[C@@H]12
InChIInChI=1S/C10H7N3O/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5,9,13H/t9-/m1/s1
InChIKeyFYXIDBCUEMZCDM-SECBINFHSA-N
XLogP0.84
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one 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 (4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one?
The IUPAC name of (4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one (CID 137154311) is (4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one.
What is the SMILES notation for (4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one?
The canonical SMILES for (4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one is O=C1N=CN=C2c3ccccc3N[C@@H]12.
What is the InChIKey of (4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one?
The InChIKey is FYXIDBCUEMZCDM-SECBINFHSA-N. The full InChI is InChI=1S/C10H7N3O/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5,9,13H/t9-/m1/s1.
What are the key properties of (4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one?
(4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one has a molecular weight of 185.19 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 137154311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).