(2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one

C24H25N3O2 — CID 42506990

IUPAC(2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one
SMILESCOc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](C)Cc1c[nH]c2ccccc12)CC3
InChIInChI=1S/C24H25N3O2/c1-15(11-16-13-25-21-6-4-3-5-18(16)21)24(28)27-10-9-23-20(14-27)19-12-17(29-2)7-8-22(19)26-23/h3-8,12-13,15,25-26H,9-11,14H2,1-2H3/t15-/m1/s1
InChIKeySSBWTIGHLWFFCQ-OAHLLOKOSA-N
MW387.48 g/mol
LogP4.42
Rot. Bonds4

About (2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one

(2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one (PubChem CID 42506990) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one
PubChem CID42506990
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one
SMILESCOc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](C)Cc1c[nH]c2ccccc12)CC3
InChIInChI=1S/C24H25N3O2/c1-15(11-16-13-25-21-6-4-3-5-18(16)21)24(28)27-10-9-23-20(14-27)19-12-17(29-2)7-8-22(19)26-23/h3-8,12-13,15,25-26H,9-11,14H2,1-2H3/t15-/m1/s1
InChIKeySSBWTIGHLWFFCQ-OAHLLOKOSA-N
XLogP4.42
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-1-one
CID 46603187
2-(2-bromophenyl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 113089347
8-methoxy-N-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 113089350
1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(3-methylphenyl)ethanone
CID 113089341
1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-phenylbutan-1-one
CID 42506667
(4-fluorophenyl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 4909744
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide
CID 110286403
N-(2-methoxyphenyl)-4-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-oxobutanamide
CID 45490738
(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 157058361
4-(1H-indol-3-yl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 17467441
2-(1H-indol-3-yl)-1-(7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 113089559
3,5-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-2-yl]benzamide
CID 41268130

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one?
The IUPAC name of (2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one (CID 42506990) is (2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for (2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for (2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one is COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](C)Cc1c[nH]c2ccccc12)CC3.
What is the InChIKey of (2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one?
The InChIKey is SSBWTIGHLWFFCQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15(11-16-13-25-21-6-4-3-5-18(16)21)24(28)27-10-9-23-20(14-27)19-12-17(29-2)7-8-22(19)26-23/h3-8,12-13,15,25-26H,9-11,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one?
(2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one has a molecular weight of 387.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 42506990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).