5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one

C18H23ClN4O3 — CID 44596807

IUPAC5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCOC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O
InChIInChI=1S/C18H23ClN4O3/c1-10-7-13(11(2)20-17(10)26-4)21-16-18(24)23(8-15(19)22-16)14(9-25-3)12-5-6-12/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyWHAZSYWKCSEYRK-CQSZACIVSA-N
MW378.86 g/mol
LogP3.26
Rot. Bonds7

About 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one

5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one (PubChem CID 44596807) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
PubChem CID44596807
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCOC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O
InChIInChI=1S/C18H23ClN4O3/c1-10-7-13(11(2)20-17(10)26-4)21-16-18(24)23(8-15(19)22-16)14(9-25-3)12-5-6-12/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyWHAZSYWKCSEYRK-CQSZACIVSA-N
XLogP3.26
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one (CID 44596807) is 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one is COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O.
What is the InChIKey of 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The InChIKey is WHAZSYWKCSEYRK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-10-7-13(11(2)20-17(10)26-4)21-16-18(24)23(8-15(19)22-16)14(9-25-3)12-5-6-12/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one has a molecular weight of 378.86 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one is sourced from PubChem (CID 44596807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).