5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

C19H22FN7O4 — CID 162376292

IUPAC5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCOc1cncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(C(N)=O)n3)CC2)n1
InChIInChI=1S/C19H22FN7O4/c1-30-15-10-22-9-13(24-15)14-4-7-31-27(14)18(29)11-2-5-26(6-3-11)19-23-8-12(20)16(25-19)17(21)28/h8-11,14H,2-7H2,1H3,(H2,21,28)/t14-/m0/s1
InChIKeyICBLRFXUCDIMBZ-AWEZNQCLSA-N
MW431.43 g/mol
LogP0.63
Rot. Bonds5

About 5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162376292) has the molecular formula C19H22FN7O4 and a molecular weight of 431.43 g/mol. Its IUPAC name is 5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162376292
Molecular FormulaC19H22FN7O4
Molecular Weight431.43 g/mol
Exact Mass431.17
IUPAC Name5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCOc1cncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(C(N)=O)n3)CC2)n1
InChIInChI=1S/C19H22FN7O4/c1-30-15-10-22-9-13(24-15)14-4-7-31-27(14)18(29)11-2-5-26(6-3-11)19-23-8-12(20)16(25-19)17(21)28/h8-11,14H,2-7H2,1H3,(H2,21,28)/t14-/m0/s1
InChIKeyICBLRFXUCDIMBZ-AWEZNQCLSA-N
XLogP0.63
TPSA136.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 162376292) is 5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is COc1cncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(C(N)=O)n3)CC2)n1.
What is the InChIKey of 5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is ICBLRFXUCDIMBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN7O4/c1-30-15-10-22-9-13(24-15)14-4-7-31-27(14)18(29)11-2-5-26(6-3-11)19-23-8-12(20)16(25-19)17(21)28/h8-11,14H,2-7H2,1H3,(H2,21,28)/t14-/m0/s1.
What are the key properties of 5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 431.43 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[(3S)-3-(6-methoxypyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162376292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).