2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

C20H23N5O3 — CID 166783590

IUPAC2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(N3CCCC3O)cnc21
InChIInChI=1S/C20H23N5O3/c1-10-5-6-14(26)11(2)17(10)25-18(21)16(19(22)28)13-8-12(9-23-20(13)25)24-7-3-4-15(24)27/h5-6,8-9,15,26-27H,3-4,7,21H2,1-2H3,(H2,22,28)
InChIKeyQYYKBIHKHGVLAM-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 166783590) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID166783590
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(N3CCCC3O)cnc21
InChIInChI=1S/C20H23N5O3/c1-10-5-6-14(26)11(2)17(10)25-18(21)16(19(22)28)13-8-12(9-23-20(13)25)24-7-3-4-15(24)27/h5-6,8-9,15,26-27H,3-4,7,21H2,1-2H3,(H2,22,28)
InChIKeyQYYKBIHKHGVLAM-UHFFFAOYSA-N
XLogP1.95
TPSA130.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 171633879
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide
CID 172626007
6-amino-3-(2-cyclopropylethynyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869529
2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784536
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869557
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 175548530
2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638022
5-amino-4-(3-hydroxy-2,6-dimethylphenyl)-2,4,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene-6-carboxamide
CID 168731077
potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
CID 178110771
2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784552
2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163631

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 166783590) is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(N3CCCC3O)cnc21.
What is the InChIKey of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is QYYKBIHKHGVLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-10-5-6-14(26)11(2)17(10)25-18(21)16(19(22)28)13-8-12(9-23-20(13)25)24-7-3-4-15(24)27/h5-6,8-9,15,26-27H,3-4,7,21H2,1-2H3,(H2,22,28).
What are the key properties of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 166783590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).