3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

C18H23N5O2 — CID 125017991

IUPAC3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@@H]1c1cncc(Nc2ncccc2C)n1
InChIInChI=1S/C18H23N5O2/c1-13-5-3-8-20-18(13)22-16-12-19-11-14(21-16)15-6-4-9-23(15)17(24)7-10-25-2/h3,5,8,11-12,15H,4,6-7,9-10H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyXLIUKDZWYKMSEH-OAHLLOKOSA-N
MW341.42 g/mol
LogP2.62
Rot. Bonds6

About 3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 125017991) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID125017991
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@@H]1c1cncc(Nc2ncccc2C)n1
InChIInChI=1S/C18H23N5O2/c1-13-5-3-8-20-18(13)22-16-12-19-11-14(21-16)15-6-4-9-23(15)17(24)7-10-25-2/h3,5,8,11-12,15H,4,6-7,9-10H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyXLIUKDZWYKMSEH-OAHLLOKOSA-N
XLogP2.62
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 125017991) is 3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is COCCC(=O)N1CCC[C@@H]1c1cncc(Nc2ncccc2C)n1.
What is the InChIKey of 3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is XLIUKDZWYKMSEH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-5-3-8-20-18(13)22-16-12-19-11-14(21-16)15-6-4-9-23(15)17(24)7-10-25-2/h3,5,8,11-12,15H,4,6-7,9-10H2,1-2H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of 3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 341.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(2R)-2-[6-[(3-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 125017991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).