5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one

C19H23ClN4O3 — CID 167185847

IUPAC5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one
SMILESCOc1nc(-c2cccc(O)c2Cl)cnc1CNC[C@@H](C)C1CCC(=O)N1
InChIInChI=1S/C19H23ClN4O3/c1-11(13-6-7-17(26)23-13)8-21-9-15-19(27-2)24-14(10-22-15)12-4-3-5-16(25)18(12)20/h3-5,10-11,13,21,25H,6-9H2,1-2H3,(H,23,26)/t11-,13?/m1/s1
InChIKeyFHQORGKCLFIAQW-JTDNENJMSA-N
MW390.87 g/mol
LogP2.52
Rot. Bonds7

About 5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one

5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one (PubChem CID 167185847) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one
PubChem CID167185847
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one
SMILESCOc1nc(-c2cccc(O)c2Cl)cnc1CNC[C@@H](C)C1CCC(=O)N1
InChIInChI=1S/C19H23ClN4O3/c1-11(13-6-7-17(26)23-13)8-21-9-15-19(27-2)24-14(10-22-15)12-4-3-5-16(25)18(12)20/h3-5,10-11,13,21,25H,6-9H2,1-2H3,(H,23,26)/t11-,13?/m1/s1
InChIKeyFHQORGKCLFIAQW-JTDNENJMSA-N
XLogP2.52
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-[(2S)-4-[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(1R)-1-[(1R)-3-oxocyclopentyl]ethyl]amino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]butan-2-yl]pyrrolidin-2-one
CID 160826691
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[5-[(cyclopentylmethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170232090
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(3R)-5-oxopyrrolidin-3-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 139429908
2-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]-N-methylacetamide
CID 139430386
5-[[[5-[3-[3-[5-(azetidin-1-ylmethyl)-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170232703
[3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]-2-(methylamino)propyl] formate
CID 170232387
5-[[[5-[2-chloro-3-[2-chloro-3-[5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170233047
5-[[[5-[2-chloro-3-[2-chloro-3-[5-[(4-hydroxypent-4-enylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170233913
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-1-methylpyrrolo[2,3-b]pyridin-3-yl]methylamino]methyl]pyrrolidin-2-one
CID 139457799
5-[[[5-[2-bromo-3-[2-bromo-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170231575
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(3-methoxycyclobutyl)amino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 139429473
(5R)-5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(3S)-5-oxopyrrolidin-3-yl]amino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 139430246

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one (CID 167185847) is 5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one is COc1nc(-c2cccc(O)c2Cl)cnc1CNC[C@@H](C)C1CCC(=O)N1.
What is the InChIKey of 5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one?
The InChIKey is FHQORGKCLFIAQW-JTDNENJMSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-11(13-6-7-17(26)23-13)8-21-9-15-19(27-2)24-14(10-22-15)12-4-3-5-16(25)18(12)20/h3-5,10-11,13,21,25H,6-9H2,1-2H3,(H,23,26)/t11-,13?/m1/s1.
What are the key properties of 5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one?
5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one has a molecular weight of 390.87 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 167185847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).