2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide

C20H22N4O2 — CID 171619275

IUPAC2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)c(N)n(-c3c(C)c(O)c4c(c3C)CC4)c2nc1C
InChIInChI=1S/C20H22N4O2/c1-8-7-14-15(19(22)26)18(21)24(20(14)23-11(8)4)16-9(2)12-5-6-13(12)17(25)10(16)3/h7,25H,5-6,21H2,1-4H3,(H2,22,26)
InChIKeyBRXZUFLUCUESPA-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.74
Rot. Bonds2

About 2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 171619275) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID171619275
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)c(N)n(-c3c(C)c(O)c4c(c3C)CC4)c2nc1C
InChIInChI=1S/C20H22N4O2/c1-8-7-14-15(19(22)26)18(21)24(20(14)23-11(8)4)16-9(2)12-5-6-13(12)17(25)10(16)3/h7,25H,5-6,21H2,1-4H3,(H2,22,26)
InChIKeyBRXZUFLUCUESPA-UHFFFAOYSA-N
XLogP2.74
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

2-amino-1-(4-chloro-3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784571
2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171633877
2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869365
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-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 172557936
6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 171633879
6-amino-2-methyl-7-(1,3,5-trimethyl-2-oxo-4-pyridinyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 172625947
2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784418
2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638135
2-amino-5-chloro-1-(4,6-dimethyl-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 170638163
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869557
[6-amino-5-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 175942111

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 171619275) is 2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide is Cc1cc2c(C(N)=O)c(N)n(-c3c(C)c(O)c4c(c3C)CC4)c2nc1C.
What is the InChIKey of 2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is BRXZUFLUCUESPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-8-7-14-15(19(22)26)18(21)24(20(14)23-11(8)4)16-9(2)12-5-6-13(12)17(25)10(16)3/h7,25H,5-6,21H2,1-4H3,(H2,22,26).
What are the key properties of 2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 171619275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).