5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one

C17H19ClF2N4O3 — CID 46881834

IUPAC5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCOC[C@@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O
InChIInChI=1S/C17H19ClF2N4O3/c1-9-11(5-6-14(21-9)27-17(19)20)22-15-16(25)24(7-13(18)23-15)12(8-26-2)10-3-4-10/h5-7,10,12,17H,3-4,8H2,1-2H3,(H,22,23)/t12-/m0/s1
InChIKeyHNXLTRKVCREKER-LBPRGKRZSA-N
MW400.81 g/mol
LogP3.54
Rot. Bonds8

About 5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one

5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one (PubChem CID 46881834) has the molecular formula C17H19ClF2N4O3 and a molecular weight of 400.81 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one
PubChem CID46881834
Molecular FormulaC17H19ClF2N4O3
Molecular Weight400.81 g/mol
Exact Mass400.11
IUPAC Name5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCOC[C@@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O
InChIInChI=1S/C17H19ClF2N4O3/c1-9-11(5-6-14(21-9)27-17(19)20)22-15-16(25)24(7-13(18)23-15)12(8-26-2)10-3-4-10/h5-7,10,12,17H,3-4,8H2,1-2H3,(H,22,23)/t12-/m0/s1
InChIKeyHNXLTRKVCREKER-LBPRGKRZSA-N
XLogP3.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one (CID 46881834) is 5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one is COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O.
What is the InChIKey of 5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one?
The InChIKey is HNXLTRKVCREKER-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClF2N4O3/c1-9-11(5-6-14(21-9)27-17(19)20)22-15-16(25)24(7-13(18)23-15)12(8-26-2)10-3-4-10/h5-7,10,12,17H,3-4,8H2,1-2H3,(H,22,23)/t12-/m0/s1.
What are the key properties of 5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one?
5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one has a molecular weight of 400.81 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]amino]pyrazin-2-one is sourced from PubChem (CID 46881834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).