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

C23H21N7O3 — CID 124849247

IUPACN-[(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
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cn1ccc2c(nnc3ccnn32)c1=O
InChIInChI=1S/C23H21N7O3/c1-33-13-5-6-16-15(11-13)14-3-2-4-17(21(14)26-16)25-20(31)12-29-10-8-18-22(23(29)32)28-27-19-7-9-24-30(18)19/h5-11,17,26H,2-4,12H2,1H3,(H,25,31)/t17-/m1/s1
InChIKeyOHQNEKJQQJHVEA-QGZVFWFLSA-N
MW443.47 g/mol
LogP2.12
Rot. Bonds4

About 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

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 (PubChem CID 124849247) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID124849247
Molecular FormulaC23H21N7O3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC NameN-[(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
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cn1ccc2c(nnc3ccnn32)c1=O
InChIInChI=1S/C23H21N7O3/c1-33-13-5-6-16-15(11-13)14-3-2-4-17(21(14)26-16)25-20(31)12-29-10-8-18-22(23(29)32)28-27-19-7-9-24-30(18)19/h5-11,17,26H,2-4,12H2,1H3,(H,25,31)/t17-/m1/s1
InChIKeyOHQNEKJQQJHVEA-QGZVFWFLSA-N
XLogP2.12
TPSA119.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 75489861
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 110205464
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-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
CID 97489350
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
CID 75490555
3-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 110204955
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
6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide
CID 125121929

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cn1ccc2c(nnc3ccnn32)c1=O.
What is the InChIKey of 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?
The InChIKey is OHQNEKJQQJHVEA-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H21N7O3/c1-33-13-5-6-16-15(11-13)14-3-2-4-17(21(14)26-16)25-20(31)12-29-10-8-18-22(23(29)32)28-27-19-7-9-24-30(18)19/h5-11,17,26H,2-4,12H2,1H3,(H,25,31)/t17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 443.47 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124849247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).