3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C20H15F2N7O3 — CID 155209387

IUPAC3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1nc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C20H15F2N7O3/c1-29-14(30)6-5-13(28-29)15-16(20-24-7-8-32-20)27-18(23)17(26-15)19(31)25-9-10-11(21)3-2-4-12(10)22/h2-8H,9H2,1H3,(H2,23,27)(H,25,31)
InChIKeySUGJXKNNUQNAKI-UHFFFAOYSA-N
MW439.38 g/mol
LogP1.68
Rot. Bonds5

About 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155209387) has the molecular formula C20H15F2N7O3 and a molecular weight of 439.38 g/mol. Its IUPAC name is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID155209387
Molecular FormulaC20H15F2N7O3
Molecular Weight439.38 g/mol
Exact Mass439.12
IUPAC Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1nc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C20H15F2N7O3/c1-29-14(30)6-5-13(28-29)15-16(20-24-7-8-32-20)27-18(23)17(26-15)19(31)25-9-10-11(21)3-2-4-12(10)22/h2-8H,9H2,1H3,(H2,23,27)(H,25,31)
InChIKeySUGJXKNNUQNAKI-UHFFFAOYSA-N
XLogP1.68
TPSA141.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155209387) is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cn1nc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccc1=O.
What is the InChIKey of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is SUGJXKNNUQNAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N7O3/c1-29-14(30)6-5-13(28-29)15-16(20-24-7-8-32-20)27-18(23)17(26-15)19(31)25-9-10-11(21)3-2-4-12(10)22/h2-8H,9H2,1H3,(H2,23,27)(H,25,31).
What are the key properties of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 439.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxopyridazin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).