[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone

C23H28N4O — CID 178179396

IUPAC[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone
SMILESCc1cccc(C)c1CNc1nc(C(=O)N2CC[C@H]2C)cc2c(C)c(C)[nH]c12
InChIInChI=1S/C23H28N4O/c1-13-7-6-8-14(2)19(13)12-24-22-21-18(16(4)17(5)25-21)11-20(26-22)23(28)27-10-9-15(27)3/h6-8,11,15,25H,9-10,12H2,1-5H3,(H,24,26)/t15-/m1/s1
InChIKeyXGXUVFGGDGJSNM-OAHLLOKOSA-N
MW376.50 g/mol
LogP4.64
Rot. Bonds4

About [7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone

[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone (PubChem CID 178179396) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone.

Molecular Properties

Compound Name[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone
PubChem CID178179396
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone
SMILESCc1cccc(C)c1CNc1nc(C(=O)N2CC[C@H]2C)cc2c(C)c(C)[nH]c12
InChIInChI=1S/C23H28N4O/c1-13-7-6-8-14(2)19(13)12-24-22-21-18(16(4)17(5)25-21)11-20(26-22)23(28)27-10-9-15(27)3/h6-8,11,15,25H,9-10,12H2,1-5H3,(H,24,26)/t15-/m1/s1
InChIKeyXGXUVFGGDGJSNM-OAHLLOKOSA-N
XLogP4.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone with MolForge

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Related Compounds

methyl 1-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl]azetidine-2-carboxylate
CID 178179474
(2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone
CID 178179386
[7-[(2-fluoro-6-methylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone
CID 178179402
[3-(azetidin-1-yl)azetidin-1-yl]-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone
CID 178179472
1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 178179413
[7-[(4-fluoro-2-methylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-(3-methoxyazetidin-1-yl)methanone
CID 178179403
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 58924876
[7-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethyl-1H-indol-5-yl]-[3-(2-methoxyethylamino)azetidin-1-yl]methanone
CID 142593211
methyl N-[2-[[[5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2,3-dimethyl-1H-indol-7-yl]amino]methyl]-3-methylphenyl]carbamate
CID 142593086
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948
2,3-dimethyl-N-[(2-methylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine
CID 67421880
(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97458045

Frequently Asked Questions

What is the IUPAC name of [7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone?
The IUPAC name of [7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone (CID 178179396) is [7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone.
What is the SMILES notation for [7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone?
The canonical SMILES for [7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone is Cc1cccc(C)c1CNc1nc(C(=O)N2CC[C@H]2C)cc2c(C)c(C)[nH]c12.
What is the InChIKey of [7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone?
The InChIKey is XGXUVFGGDGJSNM-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N4O/c1-13-7-6-8-14(2)19(13)12-24-22-21-18(16(4)17(5)25-21)11-20(26-22)23(28)27-10-9-15(27)3/h6-8,11,15,25H,9-10,12H2,1-5H3,(H,24,26)/t15-/m1/s1.
What are the key properties of [7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone?
[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-[(2R)-2-methylazetidin-1-yl]methanone is sourced from PubChem (CID 178179396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).