3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide

C24H26BrN3O3 — CID 90376272

IUPAC3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc3c4cc(Br)cc(C(N)=O)c4n(CC4CC4)c3c2)C[C@H](C)O1
InChIInChI=1S/C24H26BrN3O3/c1-13-10-27(11-14(2)31-13)24(30)16-5-6-18-19-8-17(25)9-20(23(26)29)22(19)28(21(18)7-16)12-15-3-4-15/h5-9,13-15H,3-4,10-12H2,1-2H3,(H2,26,29)/t13-,14+
InChIKeyOXWZMLSQPIJJBE-OKILXGFUSA-N
MW484.39 g/mol
LogP4.32
Rot. Bonds4

About 3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide

3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide (PubChem CID 90376272) has the molecular formula C24H26BrN3O3 and a molecular weight of 484.39 g/mol. Its IUPAC name is 3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide.

Molecular Properties

Compound Name3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide
PubChem CID90376272
Molecular FormulaC24H26BrN3O3
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc3c4cc(Br)cc(C(N)=O)c4n(CC4CC4)c3c2)C[C@H](C)O1
InChIInChI=1S/C24H26BrN3O3/c1-13-10-27(11-14(2)31-13)24(30)16-5-6-18-19-8-17(25)9-20(23(26)29)22(19)28(21(18)7-16)12-15-3-4-15/h5-9,13-15H,3-4,10-12H2,1-2H3,(H2,26,29)/t13-,14+
InChIKeyOXWZMLSQPIJJBE-OKILXGFUSA-N
XLogP4.32
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(cyclopropylmethyl)-7-[(2S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3-methyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
CID 144692930
3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide
CID 141418547
6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylic acid;tert-butyl 2-[8-carbamoyl-9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]acetate
CID 159642357
3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
CID 160804146
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(4-bromo-3-methylphenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 66817211
(4-bromo-3-fluorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932972
(3-bromo-4-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 113354405
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 119744229

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide?
The IUPAC name of 3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide (CID 90376272) is 3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide.
What is the SMILES notation for 3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide?
The canonical SMILES for 3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide is C[C@@H]1CN(C(=O)c2ccc3c4cc(Br)cc(C(N)=O)c4n(CC4CC4)c3c2)C[C@H](C)O1.
What is the InChIKey of 3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide?
The InChIKey is OXWZMLSQPIJJBE-OKILXGFUSA-N. The full InChI is InChI=1S/C24H26BrN3O3/c1-13-10-27(11-14(2)31-13)24(30)16-5-6-18-19-8-17(25)9-20(23(26)29)22(19)28(21(18)7-16)12-15-3-4-15/h5-9,13-15H,3-4,10-12H2,1-2H3,(H2,26,29)/t13-,14+.
What are the key properties of 3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide?
3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide has a molecular weight of 484.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]carbazole-1-carboxamide is sourced from PubChem (CID 90376272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).