6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide

C18H21N5O2 — CID 156869425

IUPAC6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C(C)C)cnc21
InChIInChI=1S/C18H21N5O2/c1-8(2)11-7-21-18-14(22-11)13(17(20)25)16(19)23(18)15-9(3)5-6-12(24)10(15)4/h5-8,24H,19H2,1-4H3,(H2,20,25)
InChIKeyWASFKPRKFSESPQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.55
Rot. Bonds3

About 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide

6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 156869425) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID156869425
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C(C)C)cnc21
InChIInChI=1S/C18H21N5O2/c1-8(2)11-7-21-18-14(22-11)13(17(20)25)16(19)23(18)15-9(3)5-6-12(24)10(15)4/h5-8,24H,19H2,1-4H3,(H2,20,25)
InChIKeyWASFKPRKFSESPQ-UHFFFAOYSA-N
XLogP2.55
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-2-(1,3-benzothiazol-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869406
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
6-amino-3-(2-cyclopropylethynyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869529
6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 171633879
1-[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrrolo[2,3-b]pyrazin-7-yl]ethanone
CID 156869502
11-amino-10-(3-hydroxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
CID 169238429
11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide
CID 178111080
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166783590
2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638022
potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
CID 178110771
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 176792247
2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784536

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide (CID 156869425) is 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C(C)C)cnc21.
What is the InChIKey of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is WASFKPRKFSESPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-8(2)11-7-21-18-14(22-11)13(17(20)25)16(19)23(18)15-9(3)5-6-12(24)10(15)4/h5-8,24H,19H2,1-4H3,(H2,20,25).
What are the key properties of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide?
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 156869425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).