2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide

C19H22FN7O3 — CID 168838995

IUPAC2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide
SMILESCc1cnc(N2CCC(C(=O)N3OCC[C@H]3c3cncc(F)n3)CC2)nc1C(N)=O
InChIInChI=1S/C19H22FN7O3/c1-11-8-23-19(25-16(11)17(21)28)26-5-2-12(3-6-26)18(29)27-14(4-7-30-27)13-9-22-10-15(20)24-13/h8-10,12,14H,2-7H2,1H3,(H2,21,28)/t14-/m0/s1
InChIKeyZBYPRCCQZYEFIN-AWEZNQCLSA-N
MW415.43 g/mol
LogP0.93
Rot. Bonds4

About 2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide

2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide (PubChem CID 168838995) has the molecular formula C19H22FN7O3 and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide
PubChem CID168838995
Molecular FormulaC19H22FN7O3
Molecular Weight415.43 g/mol
Exact Mass415.18
IUPAC Name2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide
SMILESCc1cnc(N2CCC(C(=O)N3OCC[C@H]3c3cncc(F)n3)CC2)nc1C(N)=O
InChIInChI=1S/C19H22FN7O3/c1-11-8-23-19(25-16(11)17(21)28)26-5-2-12(3-6-26)18(29)27-14(4-7-30-27)13-9-22-10-15(20)24-13/h8-10,12,14H,2-7H2,1H3,(H2,21,28)/t14-/m0/s1
InChIKeyZBYPRCCQZYEFIN-AWEZNQCLSA-N
XLogP0.93
TPSA127.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide (CID 168838995) is 2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide is Cc1cnc(N2CCC(C(=O)N3OCC[C@H]3c3cncc(F)n3)CC2)nc1C(N)=O.
What is the InChIKey of 2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide?
The InChIKey is ZBYPRCCQZYEFIN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN7O3/c1-11-8-23-19(25-16(11)17(21)28)26-5-2-12(3-6-26)18(29)27-14(4-7-30-27)13-9-22-10-15(20)24-13/h8-10,12,14H,2-7H2,1H3,(H2,21,28)/t14-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide?
2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-(6-fluoropyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 168838995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).