5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one

C17H21ClN4O2 — CID 44596810

IUPAC5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCOc1nc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C
InChIInChI=1S/C17H21ClN4O2/c1-9-7-13(10(2)19-16(9)24-4)20-15-17(23)22(8-14(18)21-15)11(3)12-5-6-12/h7-8,11-12H,5-6H2,1-4H3,(H,20,21)/t11-/m1/s1
InChIKeyHZQXIFKODCGWDP-LLVKDONJSA-N
MW348.83 g/mol
LogP3.63
Rot. Bonds5

About 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one

5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one (PubChem CID 44596810) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
PubChem CID44596810
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCOc1nc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C
InChIInChI=1S/C17H21ClN4O2/c1-9-7-13(10(2)19-16(9)24-4)20-15-17(23)22(8-14(18)21-15)11(3)12-5-6-12/h7-8,11-12H,5-6H2,1-4H3,(H,20,21)/t11-/m1/s1
InChIKeyHZQXIFKODCGWDP-LLVKDONJSA-N
XLogP3.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one (CID 44596810) is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one is COc1nc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C.
What is the InChIKey of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The InChIKey is HZQXIFKODCGWDP-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-9-7-13(10(2)19-16(9)24-4)20-15-17(23)22(8-14(18)21-15)11(3)12-5-6-12/h7-8,11-12H,5-6H2,1-4H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one has a molecular weight of 348.83 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one is sourced from PubChem (CID 44596810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).