N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide

C19H16F2N6O2 — CID 139027755

IUPACN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCN(C(=O)c1ncc[nH]c1=O)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1
InChIInChI=1S/C19H16F2N6O2/c1-26(19(29)16-18(28)23-7-6-22-16)13-8-27(9-13)17-14(21)15(24-10-25-17)11-2-4-12(20)5-3-11/h2-7,10,13H,8-9H2,1H3,(H,23,28)
InChIKeyKUCOWDDLFNVPHV-UHFFFAOYSA-N
MW398.37 g/mol
LogP1.47
Rot. Bonds4

About N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide

N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide (PubChem CID 139027755) has the molecular formula C19H16F2N6O2 and a molecular weight of 398.37 g/mol. Its IUPAC name is N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide
PubChem CID139027755
Molecular FormulaC19H16F2N6O2
Molecular Weight398.37 g/mol
Exact Mass398.13
IUPAC NameN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCN(C(=O)c1ncc[nH]c1=O)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1
InChIInChI=1S/C19H16F2N6O2/c1-26(19(29)16-18(28)23-7-6-22-16)13-8-27(9-13)17-14(21)15(24-10-25-17)11-2-4-12(20)5-3-11/h2-7,10,13H,8-9H2,1H3,(H,23,28)
InChIKeyKUCOWDDLFNVPHV-UHFFFAOYSA-N
XLogP1.47
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide (CID 139027755) is N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide is CN(C(=O)c1ncc[nH]c1=O)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1.
What is the InChIKey of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is KUCOWDDLFNVPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O2/c1-26(19(29)16-18(28)23-7-6-22-16)13-8-27(9-13)17-14(21)15(24-10-25-17)11-2-4-12(20)5-3-11/h2-7,10,13H,8-9H2,1H3,(H,23,28).
What are the key properties of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide?
N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 398.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-2-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 139027755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).