5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen

C82H102F3N15O6 — CID 157324460

IUPAC5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen
SMILESCCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4ccc(CNC)cc4F)no3)n2)ccc1=O.CCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4ccc(CN[C@@H]5CCC(F)C5)cc4)no3)n2)ccc1=O.CCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4cccc(C(N)CF)c4)no3)n2)ccc1=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H34FN5O2.2C26H28FN5O2.6H2/c1-4-25(5-2)36-18-22(10-13-29(36)37)27-17-32-19(3)30(34-27)28-15-26(35-38-28)21-8-6-20(7-9-21)16-33-24-12-11-23(31)14-24;1-5-19(6-2)32-15-18(8-10-25(32)33)23-14-29-16(3)26(30-23)24-12-22(31-34-24)20-9-7-17(13-28-4)11-21(20)27;1-4-20(5-2)32-15-19(9-10-25(32)33)23-14-29-16(3)26(30-23)24-12-22(31-34-24)18-8-6-7-17(11-18)21(28)13-27;;;;;;/h6-10,13,15,17-18,23-25,33H,4-5,11-12,14,16H2,1-3H3;7-12,14-15,19,28H,5-6,13H2,1-4H3;6-12,14-15,20-21H,4-5,13,28H2,1-3H3;6*1H/t23?,24-;;;;;;;;/m1......../s1
InChIKeyBENWVQRBLIXHPC-NWRSLZNLSA-N
MW1450.81 g/mol
LogP18.17
Rot. Bonds25

About 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen

5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen (PubChem CID 157324460) has the molecular formula C82H102F3N15O6 and a molecular weight of 1450.81 g/mol. Its IUPAC name is 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Name5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen
PubChem CID157324460
Molecular FormulaC82H102F3N15O6
Molecular Weight1450.81 g/mol
Exact Mass1449.81
IUPAC Name5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen
SMILESCCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4ccc(CNC)cc4F)no3)n2)ccc1=O.CCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4ccc(CN[C@@H]5CCC(F)C5)cc4)no3)n2)ccc1=O.CCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4cccc(C(N)CF)c4)no3)n2)ccc1=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H34FN5O2.2C26H28FN5O2.6H2/c1-4-25(5-2)36-18-22(10-13-29(36)37)27-17-32-19(3)30(34-27)28-15-26(35-38-28)21-8-6-20(7-9-21)16-33-24-12-11-23(31)14-24;1-5-19(6-2)32-15-18(8-10-25(32)33)23-14-29-16(3)26(30-23)24-12-22(31-34-24)20-9-7-17(13-28-4)11-21(20)27;1-4-20(5-2)32-15-19(9-10-25(32)33)23-14-29-16(3)26(30-23)24-12-22(31-34-24)18-8-6-7-17(11-18)21(28)13-27;;;;;;/h6-10,13,15,17-18,23-25,33H,4-5,11-12,14,16H2,1-3H3;7-12,14-15,19,28H,5-6,13H2,1-4H3;6-12,14-15,20-21H,4-5,13,28H2,1-3H3;6*1H/t23?,24-;;;;;;;;/m1......../s1
InChIKeyBENWVQRBLIXHPC-NWRSLZNLSA-N
XLogP18.17
TPSA271.51 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001450.81
LogP ≤ 518.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen?
The IUPAC name of 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen (CID 157324460) is 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen.
What is the SMILES notation for 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen?
The canonical SMILES for 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen is CCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4ccc(CNC)cc4F)no3)n2)ccc1=O.CCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4ccc(CN[C@@H]5CCC(F)C5)cc4)no3)n2)ccc1=O.CCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4cccc(C(N)CF)c4)no3)n2)ccc1=O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen?
The InChIKey is BENWVQRBLIXHPC-NWRSLZNLSA-N. The full InChI is InChI=1S/C30H34FN5O2.2C26H28FN5O2.6H2/c1-4-25(5-2)36-18-22(10-13-29(36)37)27-17-32-19(3)30(34-27)28-15-26(35-38-28)21-8-6-20(7-9-21)16-33-24-12-11-23(31)14-24;1-5-19(6-2)32-15-18(8-10-25(32)33)23-14-29-16(3)26(30-23)24-12-22(31-34-24)20-9-7-17(13-28-4)11-21(20)27;1-4-20(5-2)32-15-19(9-10-25(32)33)23-14-29-16(3)26(30-23)24-12-22(31-34-24)18-8-6-7-17(11-18)21(28)13-27;;;;;;/h6-10,13,15,17-18,23-25,33H,4-5,11-12,14,16H2,1-3H3;7-12,14-15,19,28H,5-6,13H2,1-4H3;6-12,14-15,20-21H,4-5,13,28H2,1-3H3;6*1H/t23?,24-;;;;;;;;/m1......../s1.
What are the key properties of 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen?
5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen has a molecular weight of 1450.81 g/mol, XLogP of 18.17, 25 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-[3-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;molecular hydrogen is sourced from PubChem (CID 157324460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).