5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one

C17H21ClN4O — CID 46881745

IUPAC5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)n1
InChIInChI=1S/C17H21ClN4O/c1-9-7-10(2)19-11(3)15(9)21-16-17(23)22(8-14(18)20-16)12(4)13-5-6-13/h7-8,12-13H,5-6H2,1-4H3,(H,20,21)/t12-/m1/s1
InChIKeyYTSOGXFXRZWWEO-GFCCVEGCSA-N
MW332.84 g/mol
LogP3.93
Rot. Bonds4

About 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one

5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one (PubChem CID 46881745) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one
PubChem CID46881745
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)n1
InChIInChI=1S/C17H21ClN4O/c1-9-7-10(2)19-11(3)15(9)21-16-17(23)22(8-14(18)20-16)12(4)13-5-6-13/h7-8,12-13H,5-6H2,1-4H3,(H,20,21)/t12-/m1/s1
InChIKeyYTSOGXFXRZWWEO-GFCCVEGCSA-N
XLogP3.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one with MolForge

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Related Compounds

(R)-5-chloro-1-(1-cyclopropylethyl)-3-(6-(dimethylamino)-2,5-dimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881748
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(2,5-dimethyl-6-(pyrrolidin-1-yl)pyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881790
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(2-methyl-6-(trifluoromethyl)pyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881791
(2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone
CID 177021886
2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 9886755
1-(2-Benzylamino-ethyl)-6-chloro-3-(2-pyridin-2-yl-ethylamino)-1H-pyrazin-2-one
CID 11315108
N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide
CID 14722754
N-[[6-amino-5-[3-(cyclopropylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
CID 53659091
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-(2,2-dicyclopropylethylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 53729100
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2,2-dichlorocyclopropyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 53740099
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 53807289
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[(2-benzylcyclopropyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 53996434

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one (CID 46881745) is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one is Cc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)n1.
What is the InChIKey of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one?
The InChIKey is YTSOGXFXRZWWEO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-9-7-10(2)19-11(3)15(9)21-16-17(23)22(8-14(18)20-16)12(4)13-5-6-13/h7-8,12-13H,5-6H2,1-4H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one?
5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one has a molecular weight of 332.84 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,4,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one is sourced from PubChem (CID 46881745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).