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

C18H20FN7O3 — CID 162376320

IUPAC5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(C(=O)N3OCC[C@H]3c3cnccn3)CC2)ncc1F
InChIInChI=1S/C18H20FN7O3/c19-12-9-23-18(24-15(12)16(20)27)25-6-1-11(2-7-25)17(28)26-14(3-8-29-26)13-10-21-4-5-22-13/h4-5,9-11,14H,1-3,6-8H2,(H2,20,27)/t14-/m0/s1
InChIKeyUAKSDFWVEVDUAQ-AWEZNQCLSA-N
MW401.40 g/mol
LogP0.63
Rot. Bonds4

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

5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162376320) has the molecular formula C18H20FN7O3 and a molecular weight of 401.40 g/mol. Its IUPAC name is 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162376320
Molecular FormulaC18H20FN7O3
Molecular Weight401.40 g/mol
Exact Mass401.16
IUPAC Name5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(C(=O)N3OCC[C@H]3c3cnccn3)CC2)ncc1F
InChIInChI=1S/C18H20FN7O3/c19-12-9-23-18(24-15(12)16(20)27)25-6-1-11(2-7-25)17(28)26-14(3-8-29-26)13-10-21-4-5-22-13/h4-5,9-11,14H,1-3,6-8H2,(H2,20,27)/t14-/m0/s1
InChIKeyUAKSDFWVEVDUAQ-AWEZNQCLSA-N
XLogP0.63
TPSA127.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 162376320) is 5-fluoro-2-[4-[(3S)-3-pyrazin-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-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is NC(=O)c1nc(N2CCC(C(=O)N3OCC[C@H]3c3cnccn3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is UAKSDFWVEVDUAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FN7O3/c19-12-9-23-18(24-15(12)16(20)27)25-6-1-11(2-7-25)17(28)26-14(3-8-29-26)13-10-21-4-5-22-13/h4-5,9-11,14H,1-3,6-8H2,(H2,20,27)/t14-/m0/s1.
What are the key properties of 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162376320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).