N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

C24H28N4O3 — CID 75489861

IUPACN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C24H28N4O3/c1-31-16-10-11-20-18(13-16)17-7-5-9-21(24(17)26-20)25-22(29)14-28-23(30)12-15-6-3-2-4-8-19(15)27-28/h10-13,21,26H,2-9,14H2,1H3,(H,25,29)
InChIKeyHZABAWMWYDMPQY-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.20
Rot. Bonds4

About N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (PubChem CID 75489861) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
PubChem CID75489861
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C24H28N4O3/c1-31-16-10-11-20-18(13-16)17-7-5-9-21(24(17)26-20)25-22(29)14-28-23(30)12-15-6-3-2-4-8-19(15)27-28/h10-13,21,26H,2-9,14H2,1H3,(H,25,29)
InChIKeyHZABAWMWYDMPQY-UHFFFAOYSA-N
XLogP3.20
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide 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

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 110205464
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 90489330
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
3-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 110204955
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide
CID 124849247
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97497081
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
CID 75490555
N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
CID 124877959
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 75491673
N-(3-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900394

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (CID 75489861) is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is COc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)Cn1nc2c(cc1=O)CCCCC2.
What is the InChIKey of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The InChIKey is HZABAWMWYDMPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-31-16-10-11-20-18(13-16)17-7-5-9-21(24(17)26-20)25-22(29)14-28-23(30)12-15-6-3-2-4-8-19(15)27-28/h10-13,21,26H,2-9,14H2,1H3,(H,25,29).
What are the key properties of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 75489861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).