2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one

C18H25N3O — CID 124946692

IUPAC2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CC(Cc2nccc3ccn(C)c23)C1
InChIInChI=1S/C18H25N3O/c1-4-14(5-2)18(22)21-11-13(12-21)10-16-17-15(6-8-19-16)7-9-20(17)3/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyCACJOJHFTRQHLL-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.01
Rot. Bonds5

About 2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one

2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one (PubChem CID 124946692) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one
PubChem CID124946692
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CC(Cc2nccc3ccn(C)c23)C1
InChIInChI=1S/C18H25N3O/c1-4-14(5-2)18(22)21-11-13(12-21)10-16-17-15(6-8-19-16)7-9-20(17)3/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyCACJOJHFTRQHLL-UHFFFAOYSA-N
XLogP3.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one (CID 124946692) is 2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CC(Cc2nccc3ccn(C)c23)C1.
What is the InChIKey of 2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one?
The InChIKey is CACJOJHFTRQHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-14(5-2)18(22)21-11-13(12-21)10-16-17-15(6-8-19-16)7-9-20(17)3/h6-9,13-14H,4-5,10-12H2,1-3H3.
What are the key properties of 2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one?
2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one has a molecular weight of 299.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one is sourced from PubChem (CID 124946692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).