1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one

C19H20FN3O — CID 159561117

IUPAC1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1cc(F)ccc1-c1cnc2c(c1)N(CCN1CCC1)C(=O)C2
InChIInChI=1S/C19H20FN3O/c1-13-9-15(20)3-4-16(13)14-10-18-17(21-12-14)11-19(24)23(18)8-7-22-5-2-6-22/h3-4,9-10,12H,2,5-8,11H2,1H3
InChIKeyMGQDTCZEMDLVRS-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.79
Rot. Bonds4

About 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one

1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 159561117) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID159561117
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1cc(F)ccc1-c1cnc2c(c1)N(CCN1CCC1)C(=O)C2
InChIInChI=1S/C19H20FN3O/c1-13-9-15(20)3-4-16(13)14-10-18-17(21-12-14)11-19(24)23(18)8-7-22-5-2-6-22/h3-4,9-10,12H,2,5-8,11H2,1H3
InChIKeyMGQDTCZEMDLVRS-UHFFFAOYSA-N
XLogP2.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one (CID 159561117) is 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one is Cc1cc(F)ccc1-c1cnc2c(c1)N(CCN1CCC1)C(=O)C2.
What is the InChIKey of 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is MGQDTCZEMDLVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-13-9-15(20)3-4-16(13)14-10-18-17(21-12-14)11-19(24)23(18)8-7-22-5-2-6-22/h3-4,9-10,12H,2,5-8,11H2,1H3.
What are the key properties of 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 325.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 159561117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).