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

C17H19ClF2N4O2 — CID 44596812

IUPAC5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1OC(F)F
InChIInChI=1S/C17H19ClF2N4O2/c1-8-6-12(9(2)21-15(8)26-17(19)20)22-14-16(25)24(7-13(18)23-14)10(3)11-4-5-11/h6-7,10-11,17H,4-5H2,1-3H3,(H,22,23)/t10-/m1/s1
InChIKeyVAGNIGUPUKCGAY-SNVBAGLBSA-N
MW384.81 g/mol
LogP4.22
Rot. Bonds6

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

5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one (PubChem CID 44596812) has the molecular formula C17H19ClF2N4O2 and a molecular weight of 384.81 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
PubChem CID44596812
Molecular FormulaC17H19ClF2N4O2
Molecular Weight384.81 g/mol
Exact Mass384.12
IUPAC Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1OC(F)F
InChIInChI=1S/C17H19ClF2N4O2/c1-8-6-12(9(2)21-15(8)26-17(19)20)22-14-16(25)24(7-13(18)23-14)10(3)11-4-5-11/h6-7,10-11,17H,4-5H2,1-3H3,(H,22,23)/t10-/m1/s1
InChIKeyVAGNIGUPUKCGAY-SNVBAGLBSA-N
XLogP4.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one (CID 44596812) is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one is Cc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1OC(F)F.
What is the InChIKey of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The InChIKey is VAGNIGUPUKCGAY-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19ClF2N4O2/c1-8-6-12(9(2)21-15(8)26-17(19)20)22-14-16(25)24(7-13(18)23-14)10(3)11-4-5-11/h6-7,10-11,17H,4-5H2,1-3H3,(H,22,23)/t10-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one has a molecular weight of 384.81 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one is sourced from PubChem (CID 44596812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).