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

C19H18F3N5O2 — CID 156869591

IUPAC6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C3(C(F)(F)F)CC3)cnc21
InChIInChI=1S/C19H18F3N5O2/c1-8-3-4-10(28)9(2)14(8)27-15(23)12(16(24)29)13-17(27)25-7-11(26-13)18(5-6-18)19(20,21)22/h3-4,7,28H,5-6,23H2,1-2H3,(H2,24,29)
InChIKeyYOSBYYQZCXLWMZ-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.02
Rot. Bonds3

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

6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 156869591) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID156869591
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C3(C(F)(F)F)CC3)cnc21
InChIInChI=1S/C19H18F3N5O2/c1-8-3-4-10(28)9(2)14(8)27-15(23)12(16(24)29)13-17(27)25-7-11(26-13)18(5-6-18)19(20,21)22/h3-4,7,28H,5-6,23H2,1-2H3,(H2,24,29)
InChIKeyYOSBYYQZCXLWMZ-UHFFFAOYSA-N
XLogP3.02
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 156869591) is 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C3(C(F)(F)F)CC3)cnc21.
What is the InChIKey of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YOSBYYQZCXLWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-8-3-4-10(28)9(2)14(8)27-15(23)12(16(24)29)13-17(27)25-7-11(26-13)18(5-6-18)19(20,21)22/h3-4,7,28H,5-6,23H2,1-2H3,(H2,24,29).
What are the key properties of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 3.02, 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-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 156869591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).