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

C59H72Br3F6N13O7 — CID 159453881

IUPAC5-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
SMILESC1CCOC1.CC[C@H](C1CC1)n1cc(Br)nc(Br)c1=O.CC[C@H](C1CC1)n1cc(Br)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O.CC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O.Cc1cc(N)c(C)nc1OC(F)F
InChIInChI=1S/C19H21F2N5O2.C18H21BrF2N4O2.C10H12Br2N2O.C8H10F2N2O.C4H8O/c1-4-15(12-5-6-12)26-9-13(8-22)24-16(18(26)27)25-14-7-10(2)17(23-11(14)3)28-19(20)21;1-4-13(11-5-6-11)25-8-14(19)24-15(17(25)26)23-12-7-9(2)16(22-10(12)3)27-18(20)21;1-2-7(6-3-4-6)14-5-8(11)13-9(12)10(14)15;1-4-3-6(11)5(2)12-7(4)13-8(9)10;1-2-4-5-3-1/h7,9,12,15,19H,4-6H2,1-3H3,(H,24,25);7-8,11,13,18H,4-6H2,1-3H3,(H,23,24);5-7H,2-4H2,1H3;3,8H,11H2,1-2H3;1-4H2/t15-;13-;7-;;/m111../s1
InChIKeyLTSIMPTXPWGRCC-MKGCEURGSA-N
MW1429.01 g/mol
LogP14.36
Rot. Bonds19

About 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

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 (PubChem CID 159453881) has the molecular formula C59H72Br3F6N13O7 and a molecular weight of 1429.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159453881
Molecular FormulaC59H72Br3F6N13O7
Molecular Weight1429.01 g/mol
Exact Mass1425.31
IUPAC Name5-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
SMILESC1CCOC1.CC[C@H](C1CC1)n1cc(Br)nc(Br)c1=O.CC[C@H](C1CC1)n1cc(Br)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O.CC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O.Cc1cc(N)c(C)nc1OC(F)F
InChIInChI=1S/C19H21F2N5O2.C18H21BrF2N4O2.C10H12Br2N2O.C8H10F2N2O.C4H8O/c1-4-15(12-5-6-12)26-9-13(8-22)24-16(18(26)27)25-14-7-10(2)17(23-11(14)3)28-19(20)21;1-4-13(11-5-6-11)25-8-14(19)24-15(17(25)26)23-12-7-9(2)16(22-10(12)3)27-18(20)21;1-2-7(6-3-4-6)14-5-8(11)13-9(12)10(14)15;1-4-3-6(11)5(2)12-7(4)13-8(9)10;1-2-4-5-3-1/h7,9,12,15,19H,4-6H2,1-3H3,(H,24,25);7-8,11,13,18H,4-6H2,1-3H3,(H,23,24);5-7H,2-4H2,1H3;3,8H,11H2,1-2H3;1-4H2/t15-;13-;7-;;/m111../s1
InChIKeyLTSIMPTXPWGRCC-MKGCEURGSA-N
XLogP14.36
TPSA254.13 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001429.01
LogP ≤ 514.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CCOC1.CC[C@H](C1CC1)n1cc(Br)nc(Br)c1=O.CC[C@H](C1CC1)n1cc(Br)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O.CC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O.Cc1cc(N)c(C)nc1OC(F)F.
What is the InChIKey of 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?
The InChIKey is LTSIMPTXPWGRCC-MKGCEURGSA-N. The full InChI is InChI=1S/C19H21F2N5O2.C18H21BrF2N4O2.C10H12Br2N2O.C8H10F2N2O.C4H8O/c1-4-15(12-5-6-12)26-9-13(8-22)24-16(18(26)27)25-14-7-10(2)17(23-11(14)3)28-19(20)21;1-4-13(11-5-6-11)25-8-14(19)24-15(17(25)26)23-12-7-9(2)16(22-10(12)3)27-18(20)21;1-2-7(6-3-4-6)14-5-8(11)13-9(12)10(14)15;1-4-3-6(11)5(2)12-7(4)13-8(9)10;1-2-4-5-3-1/h7,9,12,15,19H,4-6H2,1-3H3,(H,24,25);7-8,11,13,18H,4-6H2,1-3H3,(H,23,24);5-7H,2-4H2,1H3;3,8H,11H2,1-2H3;1-4H2/t15-;13-;7-;;/m111../s1.
What are the key properties of 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?
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 has a molecular weight of 1429.01 g/mol, XLogP of 14.36, 19 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159453881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).