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

C18H23ClN4O2 — CID 44596809

IUPAC5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O
InChIInChI=1S/C18H23ClN4O2/c1-5-14(12-6-7-12)23-9-15(19)22-16(18(23)24)21-13-8-10(2)17(25-4)20-11(13)3/h8-9,12,14H,5-7H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyAOQNUAUZFQJNHU-CQSZACIVSA-N
MW362.86 g/mol
LogP4.02
Rot. Bonds6

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

5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one (PubChem CID 44596809) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
PubChem CID44596809
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O
InChIInChI=1S/C18H23ClN4O2/c1-5-14(12-6-7-12)23-9-15(19)22-16(18(23)24)21-13-8-10(2)17(25-4)20-11(13)3/h8-9,12,14H,5-7H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyAOQNUAUZFQJNHU-CQSZACIVSA-N
XLogP4.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.02
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-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one (CID 44596809) is 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one is CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O.
What is the InChIKey of 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The InChIKey is AOQNUAUZFQJNHU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-5-14(12-6-7-12)23-9-15(19)22-16(18(23)24)21-13-8-10(2)17(25-4)20-11(13)3/h8-9,12,14H,5-7H2,1-4H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one has a molecular weight of 362.86 g/mol, XLogP of 4.02, 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-cyclopropylpropyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one is sourced from PubChem (CID 44596809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).