5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one

C16H16ClF3N4O — CID 46881791

IUPAC5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one
SMILESCc1nc(C(F)(F)F)ccc1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O
InChIInChI=1S/C16H16ClF3N4O/c1-8-11(5-6-12(21-8)16(18,19)20)22-14-15(25)24(7-13(17)23-14)9(2)10-3-4-10/h5-7,9-10H,3-4H2,1-2H3,(H,22,23)/t9-/m1/s1
InChIKeyOVKZZLHKBZVHBQ-SECBINFHSA-N
MW372.78 g/mol
LogP4.33
Rot. Bonds4

About 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one

5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one (PubChem CID 46881791) has the molecular formula C16H16ClF3N4O and a molecular weight of 372.78 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one
PubChem CID46881791
Molecular FormulaC16H16ClF3N4O
Molecular Weight372.78 g/mol
Exact Mass372.10
IUPAC Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one
SMILESCc1nc(C(F)(F)F)ccc1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O
InChIInChI=1S/C16H16ClF3N4O/c1-8-11(5-6-12(21-8)16(18,19)20)22-14-15(25)24(7-13(17)23-14)9(2)10-3-4-10/h5-7,9-10H,3-4H2,1-2H3,(H,22,23)/t9-/m1/s1
InChIKeyOVKZZLHKBZVHBQ-SECBINFHSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-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-(2,4,6-trimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881745
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(2,5-dimethyl-6-(pyrrolidin-1-yl)pyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881790
1-(1-cyclopropylethyl)-5-(2,4-dichloro-6-(trifluoromethyl)pyridin-3-ylamino)-3-methyl-1,2,4-triazin-6(1H)-one
CID 46891229
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-4H-pyrimidin-2-yl)methyl]acetamide
CID 91404809
N-[(6-amino-2-methylpyridin-3-yl)methyl]-2-[3-[(2-cyclopropyl-2,2-difluoroethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 53942294
2-[6-Chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide
CID 90689457
2-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 123709670
N-[(2E,3E)-3-(butylaminomethyl)-2-ethylidenehexa-3,5-dienyl]-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide
CID 142154971
6-chloro-1-[2-[[(5S)-7-fluoro-5-methylcyclohepta-1,3,6-trien-1-yl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 143038710
2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide
CID 144770922
2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 144770990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one (CID 46881791) is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one is Cc1nc(C(F)(F)F)ccc1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O.
What is the InChIKey of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
The InChIKey is OVKZZLHKBZVHBQ-SECBINFHSA-N. The full InChI is InChI=1S/C16H16ClF3N4O/c1-8-11(5-6-12(21-8)16(18,19)20)22-14-15(25)24(7-13(17)23-14)9(2)10-3-4-10/h5-7,9-10H,3-4H2,1-2H3,(H,22,23)/t9-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one has a molecular weight of 372.78 g/mol, XLogP of 4.33, 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-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one is sourced from PubChem (CID 46881791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).