3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C18H14FN7O — CID 137430160

IUPAC3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(N)=O)nc2-c2cc(F)c3ncccc3c2)n1
InChIInChI=1S/C18H14FN7O/c1-26-6-4-12(25-26)15-14(23-16(18(21)27)17(20)24-15)10-7-9-3-2-5-22-13(9)11(19)8-10/h2-8H,1H3,(H2,20,24)(H2,21,27)
InChIKeyDZZISNGJOHNRCL-UHFFFAOYSA-N
MW363.36 g/mol
LogP1.91
Rot. Bonds3

About 3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 137430160) has the molecular formula C18H14FN7O and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID137430160
Molecular FormulaC18H14FN7O
Molecular Weight363.36 g/mol
Exact Mass363.12
IUPAC Name3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(N)=O)nc2-c2cc(F)c3ncccc3c2)n1
InChIInChI=1S/C18H14FN7O/c1-26-6-4-12(25-26)15-14(23-16(18(21)27)17(20)24-15)10-7-9-3-2-5-22-13(9)11(19)8-10/h2-8H,1H3,(H2,20,24)(H2,21,27)
InChIKeyDZZISNGJOHNRCL-UHFFFAOYSA-N
XLogP1.91
TPSA125.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 137430160) is 3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(N)=O)nc2-c2cc(F)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is DZZISNGJOHNRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7O/c1-26-6-4-12(25-26)15-14(23-16(18(21)27)17(20)24-15)10-7-9-3-2-5-22-13(9)11(19)8-10/h2-8H,1H3,(H2,20,24)(H2,21,27).
What are the key properties of 3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 137430160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).