7H-pyrimido[4,5-b]indole

C10H7N3 — CID 152703561

IUPAC7H-pyrimido[4,5-b]indole
SMILESC1=CC2=c3cncnc3=NC2=CC1
InChIInChI=1S/C10H7N3/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1,3-6H,2H2
InChIKeyZSBYLTKAABCLHK-UHFFFAOYSA-N
MW169.19 g/mol
LogP0.10
Rot. Bonds

About 7H-pyrimido[4,5-b]indole

7H-pyrimido[4,5-b]indole (PubChem CID 152703561) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 7H-pyrimido[4,5-b]indole.

Molecular Properties

Compound Name7H-pyrimido[4,5-b]indole
PubChem CID152703561
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name7H-pyrimido[4,5-b]indole
SMILESC1=CC2=c3cncnc3=NC2=CC1
InChIInChI=1S/C10H7N3/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1,3-6H,2H2
InChIKeyZSBYLTKAABCLHK-UHFFFAOYSA-N
XLogP0.10
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7H-pyrimido[4,5-b]indole 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

Imidazocarbazole
CID 21887508
Imidazobenzazepine
CID 67235958
Imidazoindole
CID 67258941
Imidazopyridoindole
CID 69176447
Indeno[2,1-e]pyrazolo[5,4-b]pyridine
CID 129857662
2-Methylimidazolo[4,5-f]-indole
CID 129785117
9h-Pyrrolo[2,3-b:4,5-b']dipyridine
CID 129845236
Imidazopyrido[2,3-b]indole
CID 129869207
Pyrazolo[4',3':5,6]pyrido[3,2-b]azepine
CID 155803289
1H-indolo[2,3-b][1,6]naphthyridine
CID 21886795
Imidazo[4,5-c]carbazole
CID 21887054
1H-indolo[3,2-c][1,8]naphthyridine
CID 21887805

Frequently Asked Questions

What is the IUPAC name of 7H-pyrimido[4,5-b]indole?
The IUPAC name of 7H-pyrimido[4,5-b]indole (CID 152703561) is 7H-pyrimido[4,5-b]indole.
What is the SMILES notation for 7H-pyrimido[4,5-b]indole?
The canonical SMILES for 7H-pyrimido[4,5-b]indole is C1=CC2=c3cncnc3=NC2=CC1.
What is the InChIKey of 7H-pyrimido[4,5-b]indole?
The InChIKey is ZSBYLTKAABCLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1,3-6H,2H2.
What are the key properties of 7H-pyrimido[4,5-b]indole?
7H-pyrimido[4,5-b]indole has a molecular weight of 169.19 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrimido[4,5-b]indole is sourced from PubChem (CID 152703561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).