1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one

C18H19ClN4O3 — CID 171499495

IUPAC1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC[C@H]1c1cc(Cl)cc(-c2cnc(N)c(OC)n2)c1
InChIInChI=1S/C18H19ClN4O3/c1-3-16(24)23-4-5-26-10-15(23)12-6-11(7-13(19)8-12)14-9-21-17(20)18(22-14)25-2/h3,6-9,15H,1,4-5,10H2,2H3,(H2,20,21)/t15-/m0/s1
InChIKeyBSTDNEAGQCYYNC-HNNXBMFYSA-N
MW374.83 g/mol
LogP2.47
Rot. Bonds4

About 1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one

1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one (PubChem CID 171499495) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one
PubChem CID171499495
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC[C@H]1c1cc(Cl)cc(-c2cnc(N)c(OC)n2)c1
InChIInChI=1S/C18H19ClN4O3/c1-3-16(24)23-4-5-26-10-15(23)12-6-11(7-13(19)8-12)14-9-21-17(20)18(22-14)25-2/h3,6-9,15H,1,4-5,10H2,2H3,(H2,20,21)/t15-/m0/s1
InChIKeyBSTDNEAGQCYYNC-HNNXBMFYSA-N
XLogP2.47
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-[3-chloro-5-(6-methoxypyrimidin-4-yl)phenyl]morpholin-4-yl]prop-2-en-1-one
CID 171499419
1-[(3R)-3-[3-chloro-5-(2-methyltetrazol-5-yl)phenyl]morpholin-4-yl]prop-2-en-1-one
CID 171499358
1-[(3R)-3-[3-chloro-5-(4-fluorophenyl)phenyl]morpholin-4-yl]prop-2-en-1-one
CID 177307092
1-[(3R)-3-[3-chloro-5-(1-cyclopropylpyrazol-4-yl)phenyl]morpholin-4-yl]prop-2-en-1-one
CID 171499185
N-[3-chloro-5-(4-prop-2-enoylmorpholin-3-yl)phenyl]pyrimidine-2-carboxamide
CID 178016320
1-[6-[3-(2-aminopyrimidin-4-yl)-5-chlorophenyl]-4-oxa-7-azaspiro[2.5]octan-7-yl]prop-2-en-1-one
CID 171499253
tert-butyl (3R)-3-[3-(4-amino-6-oxo-1H-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholine-4-carboxylate
CID 171499389
2-[3-[3-chloro-5-(oxan-4-yl)phenyl]morpholin-4-yl]prop-2-enal
CID 178181793
(E)-1-[(3R)-3-[2-(4-amino-1,3,5-triazin-2-yl)-6-chloro-4-pyridinyl]morpholin-4-yl]-3-chloroprop-2-en-1-one
CID 176590697
1-[3-[3-(4-aminopyrimidin-2-yl)-5-chlorophenyl]-1-oxo-1,4-thiazinan-4-yl]prop-2-en-1-one
CID 171499587
1-[(2R)-4-acetyl-2-[3-chloro-5-(oxan-4-yl)phenyl]piperazin-1-yl]prop-2-en-1-one
CID 171499258
tert-butyl (3R)-3-[3-[4-amino-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]morpholine-4-carboxylate
CID 171499401

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one (CID 171499495) is 1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1CCOC[C@H]1c1cc(Cl)cc(-c2cnc(N)c(OC)n2)c1.
What is the InChIKey of 1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one?
The InChIKey is BSTDNEAGQCYYNC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-3-16(24)23-4-5-26-10-15(23)12-6-11(7-13(19)8-12)14-9-21-17(20)18(22-14)25-2/h3,6-9,15H,1,4-5,10H2,2H3,(H2,20,21)/t15-/m0/s1.
What are the key properties of 1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one?
1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one has a molecular weight of 374.83 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[3-(5-amino-6-methoxypyrazin-2-yl)-5-chlorophenyl]morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 171499495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).