6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide

C24H25N3O3 — CID 125121929

IUPAC6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cc2ccc(OC)cc2n1C
InChIInChI=1S/C24H25N3O3/c1-27-21-13-16(30-3)8-7-14(21)11-22(27)24(28)26-20-6-4-5-17-18-12-15(29-2)9-10-19(18)25-23(17)20/h7-13,20,25H,4-6H2,1-3H3,(H,26,28)/t20-/m0/s1
InChIKeyAMGOJRYZXGOUMP-FQEVSTJZSA-N
MW403.48 g/mol
LogP4.48
Rot. Bonds4

About 6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide

6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide (PubChem CID 125121929) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide
PubChem CID125121929
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cc2ccc(OC)cc2n1C
InChIInChI=1S/C24H25N3O3/c1-27-21-13-16(30-3)8-7-14(21)11-22(27)24(28)26-20-6-4-5-17-18-12-15(29-2)9-10-19(18)25-23(17)20/h7-13,20,25H,4-6H2,1-3H3,(H,26,28)/t20-/m0/s1
InChIKeyAMGOJRYZXGOUMP-FQEVSTJZSA-N
XLogP4.48
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 110208093
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
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
CID 75490269
5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
CID 125432343
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)-3-(tetrazol-1-yl)benzamide
CID 91820905
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
1-benzyl-3-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125122907
3-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 110204955
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
CID 97489350

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide (CID 125121929) is 6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide is COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cc2ccc(OC)cc2n1C.
What is the InChIKey of 6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide?
The InChIKey is AMGOJRYZXGOUMP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-27-21-13-16(30-3)8-7-14(21)11-22(27)24(28)26-20-6-4-5-17-18-12-15(29-2)9-10-19(18)25-23(17)20/h7-13,20,25H,4-6H2,1-3H3,(H,26,28)/t20-/m0/s1.
What are the key properties of 6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide?
6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 125121929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).