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

C19H18FN3O2 — CID 147055130

IUPAC1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1cc(F)ccc1-c1cnc2c(c1)N(CC(=O)N1CCC1)C(=O)C2
InChIInChI=1S/C19H18FN3O2/c1-12-7-14(20)3-4-15(12)13-8-17-16(21-10-13)9-18(24)23(17)11-19(25)22-5-2-6-22/h3-4,7-8,10H,2,5-6,9,11H2,1H3
InChIKeyBCBWEYUYVCLCDZ-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.32
Rot. Bonds3

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

1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 147055130) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID147055130
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1cc(F)ccc1-c1cnc2c(c1)N(CC(=O)N1CCC1)C(=O)C2
InChIInChI=1S/C19H18FN3O2/c1-12-7-14(20)3-4-15(12)13-8-17-16(21-10-13)9-18(24)23(17)11-19(25)22-5-2-6-22/h3-4,7-8,10H,2,5-6,9,11H2,1H3
InChIKeyBCBWEYUYVCLCDZ-UHFFFAOYSA-N
XLogP2.32
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one
CID 159561117
1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[3-(2-fluoroethoxy)-5-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 146936111
5-fluoro-1-(2-oxo-2-piperidin-1-ylethyl)-3H-indol-2-one
CID 155958104
6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 153047463
6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 159043288
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
CID 118945921
1-(3,3-difluoroazetidin-1-yl)-2-[6-(4-fluoro-2-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155389970
1-[4-(4-fluoro-2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 115745793
3-fluoro-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 53200637
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
N-cyclopropyl-2-[6-(4-fluoro-2-methylphenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 134489943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one (CID 147055130) is 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one is Cc1cc(F)ccc1-c1cnc2c(c1)N(CC(=O)N1CCC1)C(=O)C2.
What is the InChIKey of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is BCBWEYUYVCLCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-7-14(20)3-4-15(12)13-8-17-16(21-10-13)9-18(24)23(17)11-19(25)22-5-2-6-22/h3-4,7-8,10H,2,5-6,9,11H2,1H3.
What are the key properties of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
1-[2-(azetidin-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 339.37 g/mol, XLogP of 2.32, 3 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)-2-oxoethyl]-6-(4-fluoro-2-methylphenyl)-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 147055130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).