6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H16N6O2S — CID 156869435

IUPAC6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(-c3nccs3)cnc21
InChIInChI=1S/C18H16N6O2S/c1-8-3-4-11(25)9(2)14(8)24-15(19)12(16(20)26)13-17(24)22-7-10(23-13)18-21-5-6-27-18/h3-7,25H,19H2,1-2H3,(H2,20,26)
InChIKeyJCFWZNDGAJNQKA-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.55
Rot. Bonds3

About 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide

6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 156869435) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID156869435
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(-c3nccs3)cnc21
InChIInChI=1S/C18H16N6O2S/c1-8-3-4-11(25)9(2)14(8)24-15(19)12(16(20)26)13-17(24)22-7-10(23-13)18-21-5-6-27-18/h3-7,25H,19H2,1-2H3,(H2,20,26)
InChIKeyJCFWZNDGAJNQKA-UHFFFAOYSA-N
XLogP2.55
TPSA132.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

Myt1-IN-3
CID 156869367
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-morpholin-4-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869375
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869396
6-Amino-2-(3,5-difluoro-2-pyridinyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869476
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869528
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869542
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869646
1-(3-Hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 168281351
[6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 169410465
Myt1-IN-4
CID 170453154
US20250163077, Example 36
CID 175942114
US20250163077, Example 24
CID 175942118

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 156869435) is 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(-c3nccs3)cnc21.
What is the InChIKey of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JCFWZNDGAJNQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-8-3-4-11(25)9(2)14(8)24-15(19)12(16(20)26)13-17(24)22-7-10(23-13)18-21-5-6-27-18/h3-7,25H,19H2,1-2H3,(H2,20,26).
What are the key properties of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 156869435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).