2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C21H18FN7O2 — CID 71288307

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cc(C(C)NC(=O)c2c[nH]c3ncc(-c4nn(C)c5cc(F)ccc45)nc23)no1
InChIInChI=1S/C21H18FN7O2/c1-10-6-15(28-31-10)11(2)25-21(30)14-8-23-20-19(14)26-16(9-24-20)18-13-5-4-12(22)7-17(13)29(3)27-18/h4-9,11H,1-3H3,(H,23,24)(H,25,30)
InChIKeyKFWFJPCOONCJDI-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.44
Rot. Bonds4

About 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288307) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288307
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cc(C(C)NC(=O)c2c[nH]c3ncc(-c4nn(C)c5cc(F)ccc45)nc23)no1
InChIInChI=1S/C21H18FN7O2/c1-10-6-15(28-31-10)11(2)25-21(30)14-8-23-20-19(14)26-16(9-24-20)18-13-5-4-12(22)7-17(13)29(3)27-18/h4-9,11H,1-3H3,(H,23,24)(H,25,30)
InChIKeyKFWFJPCOONCJDI-UHFFFAOYSA-N
XLogP3.44
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288307) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1cc(C(C)NC(=O)c2c[nH]c3ncc(-c4nn(C)c5cc(F)ccc45)nc23)no1.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KFWFJPCOONCJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O2/c1-10-6-15(28-31-10)11(2)25-21(30)14-8-23-20-19(14)26-16(9-24-20)18-13-5-4-12(22)7-17(13)29(3)27-18/h4-9,11H,1-3H3,(H,23,24)(H,25,30).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).