(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone

C18H17N3O2 — CID 110667856

IUPAC(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone
SMILESCOc1cccc2c3c([nH]c12)CCN(C(=O)c1ccccn1)C3
InChIInChI=1S/C18H17N3O2/c1-23-16-7-4-5-12-13-11-21(10-8-14(13)20-17(12)16)18(22)15-6-2-3-9-19-15/h2-7,9,20H,8,10-11H2,1H3
InChIKeyCDJRYQKGCSBIBY-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.77
Rot. Bonds2

About (6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone

(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone (PubChem CID 110667856) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone
PubChem CID110667856
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone
SMILESCOc1cccc2c3c([nH]c12)CCN(C(=O)c1ccccn1)C3
InChIInChI=1S/C18H17N3O2/c1-23-16-7-4-5-12-13-11-21(10-8-14(13)20-17(12)16)18(22)15-6-2-3-9-19-15/h2-7,9,20H,8,10-11H2,1H3
InChIKeyCDJRYQKGCSBIBY-UHFFFAOYSA-N
XLogP2.77
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone 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

cyclopropyl-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 110667876
1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3,3-dimethylbutan-1-one
CID 110667927
2-ethyl-1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 110667883
N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 110667981
1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(3-methylphenoxy)ethanone
CID 110667941
(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methoxy-4-pyridinyl)methanone
CID 70781886
(2,3-dimethoxyphenyl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 17464183
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone
CID 114523309
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 75261959
(2,6-dimethoxyphenyl)-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)methanone
CID 84579345
(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2,6-dimethoxyphenyl)methanone
CID 113089802
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone?
The IUPAC name of (6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone (CID 110667856) is (6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone is COc1cccc2c3c([nH]c12)CCN(C(=O)c1ccccn1)C3.
What is the InChIKey of (6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone?
The InChIKey is CDJRYQKGCSBIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-16-7-4-5-12-13-11-21(10-8-14(13)20-17(12)16)18(22)15-6-2-3-9-19-15/h2-7,9,20H,8,10-11H2,1H3.
What are the key properties of (6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone?
(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone has a molecular weight of 307.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 110667856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).