[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

C23H26N4O2 — CID 75261959

IUPAC[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESCOc1ccccc1C1CC(C(=O)N2CCc3[nH]c4c(C)cccc4c3C2)NN1
InChIInChI=1S/C23H26N4O2/c1-14-6-5-8-15-17-13-27(11-10-18(17)24-22(14)15)23(28)20-12-19(25-26-20)16-7-3-4-9-21(16)29-2/h3-9,19-20,24-26H,10-13H2,1-2H3
InChIKeyYYPDOWBQKNBGBF-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.98
Rot. Bonds3

About [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (PubChem CID 75261959) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
PubChem CID75261959
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESCOc1ccccc1C1CC(C(=O)N2CCc3[nH]c4c(C)cccc4c3C2)NN1
InChIInChI=1S/C23H26N4O2/c1-14-6-5-8-15-17-13-27(11-10-18(17)24-22(14)15)23(28)20-12-19(25-26-20)16-7-3-4-9-21(16)29-2/h3-9,19-20,24-26H,10-13H2,1-2H3
InChIKeyYYPDOWBQKNBGBF-UHFFFAOYSA-N
XLogP2.98
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone 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
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 134086106
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
CID 133108597
1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3,3-dimethylbutan-1-one
CID 110667927
(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone
CID 110667856
(2-tert-butyl-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-(2-methoxyphenyl)pyrazolidin-3-yl]methanone
CID 133108594
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
6-(4-methoxyphenyl)-3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyridin-2-one
CID 46971644
(2,3-dimethoxyphenyl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 17464183
1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(3-methylphenoxy)ethanone
CID 110667941
4-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 46972552

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The IUPAC name of [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (CID 75261959) is [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.
What is the SMILES notation for [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The canonical SMILES for [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is COc1ccccc1C1CC(C(=O)N2CCc3[nH]c4c(C)cccc4c3C2)NN1.
What is the InChIKey of [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The InChIKey is YYPDOWBQKNBGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-6-5-8-15-17-13-27(11-10-18(17)24-22(14)15)23(28)20-12-19(25-26-20)16-7-3-4-9-21(16)29-2/h3-9,19-20,24-26H,10-13H2,1-2H3.
What are the key properties of [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone has a molecular weight of 390.49 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is sourced from PubChem (CID 75261959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).