2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol

C21H27N3O — CID 18341125

IUPAC2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccnc2c(-c3c(C)cc(C)cc3C)cn(C)c12
InChIInChI=1S/C21H27N3O/c1-6-16(12-25)23-18-7-8-22-20-17(11-24(5)21(18)20)19-14(3)9-13(2)10-15(19)4/h7-11,16,25H,6,12H2,1-5H3,(H,22,23)
InChIKeyKKQXUTOZKRZIJX-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.35
Rot. Bonds5

About 2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol

2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol (PubChem CID 18341125) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol
PubChem CID18341125
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccnc2c(-c3c(C)cc(C)cc3C)cn(C)c12
InChIInChI=1S/C21H27N3O/c1-6-16(12-25)23-18-7-8-22-20-17(11-24(5)21(18)20)19-14(3)9-13(2)10-15(19)4/h7-11,16,25H,6,12H2,1-5H3,(H,22,23)
InChIKeyKKQXUTOZKRZIJX-UHFFFAOYSA-N
XLogP4.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol
CID 22596042
(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 130720526
2-[(5-amino-7-methylisoquinolin-1-yl)amino]butan-1-ol
CID 82570347
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
(2S)-2-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 94586923
2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 83061011
1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine
CID 22474336
2,5-dimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine
CID 22474402
methyl 5-(1-hydroxybutan-2-ylamino)-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 151783478
2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine
CID 22474412
2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine
CID 22474421

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol?
The IUPAC name of 2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol (CID 18341125) is 2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol is CCC(CO)Nc1ccnc2c(-c3c(C)cc(C)cc3C)cn(C)c12.
What is the InChIKey of 2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol?
The InChIKey is KKQXUTOZKRZIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-6-16(12-25)23-18-7-8-22-20-17(11-24(5)21(18)20)19-14(3)9-13(2)10-15(19)4/h7-11,16,25H,6,12H2,1-5H3,(H,22,23).
What are the key properties of 2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol?
2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol has a molecular weight of 337.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol is sourced from PubChem (CID 18341125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).