5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile

C17H16ClF2N5O2 — CID 45483573

IUPAC5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile
SMILESCc1nc(OC(F)F)c(C#N)cc1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O
InChIInChI=1S/C17H16ClF2N5O2/c1-8-12(5-11(6-21)15(22-8)27-17(19)20)23-14-16(26)25(7-13(18)24-14)9(2)10-3-4-10/h5,7,9-10,17H,3-4H2,1-2H3,(H,23,24)/t9-/m1/s1
InChIKeyOKVMTKHOKCHPDT-SECBINFHSA-N
MW395.80 g/mol
LogP3.79
Rot. Bonds6

About 5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile

5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile (PubChem CID 45483573) has the molecular formula C17H16ClF2N5O2 and a molecular weight of 395.80 g/mol. Its IUPAC name is 5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile
PubChem CID45483573
Molecular FormulaC17H16ClF2N5O2
Molecular Weight395.80 g/mol
Exact Mass395.10
IUPAC Name5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile
SMILESCc1nc(OC(F)F)c(C#N)cc1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O
InChIInChI=1S/C17H16ClF2N5O2/c1-8-12(5-11(6-21)15(22-8)27-17(19)20)23-14-16(26)25(7-13(18)24-14)9(2)10-3-4-10/h5,7,9-10,17H,3-4H2,1-2H3,(H,23,24)/t9-/m1/s1
InChIKeyOKVMTKHOKCHPDT-SECBINFHSA-N
XLogP3.79
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
CID 44596810
5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one
CID 46881746
4-[(1R)-1-cyclopropylpropyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile
CID 44596701
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
CID 67076089
5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
CID 67102289
5-bromo-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one;4-[(1R)-1-cyclopropylpropyl]-6-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-5-oxopyrazine-2-carbonitrile;3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one;6-(difluoromethoxy)-2,5-dimethylpyridin-3-amine;oxolane
CID 159453881
[(2R)-2-[5-chloro-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-2-oxopyrazin-1-yl]-2-cyclopropylethyl] N-butylcarbamate
CID 67160352
2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile
CID 67076167
3-chloro-4-[[6-chloro-4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-3-oxopyrazin-2-yl]amino]-5-methylbenzonitrile
CID 71580313
6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile
CID 130775319
2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile
CID 131192874
[4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid
CID 68719041

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile (CID 45483573) is 5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile is Cc1nc(OC(F)F)c(C#N)cc1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O.
What is the InChIKey of 5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile?
The InChIKey is OKVMTKHOKCHPDT-SECBINFHSA-N. The full InChI is InChI=1S/C17H16ClF2N5O2/c1-8-12(5-11(6-21)15(22-8)27-17(19)20)23-14-16(26)25(7-13(18)24-14)9(2)10-3-4-10/h5,7,9-10,17H,3-4H2,1-2H3,(H,23,24)/t9-/m1/s1.
What are the key properties of 5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile?
5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile has a molecular weight of 395.80 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 45483573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).