1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one

C18H14F4N2O2 — CID 147124770

IUPAC1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(-c3cccc(C(F)(F)F)c3)cc2N1CC1(F)COC1
InChIInChI=1S/C18H14F4N2O2/c19-17(9-26-10-17)8-24-15-5-12(7-23-14(15)6-16(24)25)11-2-1-3-13(4-11)18(20,21)22/h1-5,7H,6,8-10H2
InChIKeyBPBGHJYPXFVTRR-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.39
Rot. Bonds3

About 1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one

1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 147124770) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is 1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID147124770
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(-c3cccc(C(F)(F)F)c3)cc2N1CC1(F)COC1
InChIInChI=1S/C18H14F4N2O2/c19-17(9-26-10-17)8-24-15-5-12(7-23-14(15)6-16(24)25)11-2-1-3-13(4-11)18(20,21)22/h1-5,7H,6,8-10H2
InChIKeyBPBGHJYPXFVTRR-UHFFFAOYSA-N
XLogP3.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one (CID 147124770) is 1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one is O=C1Cc2ncc(-c3cccc(C(F)(F)F)c3)cc2N1CC1(F)COC1.
What is the InChIKey of 1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is BPBGHJYPXFVTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c19-17(9-26-10-17)8-24-15-5-12(7-23-14(15)6-16(24)25)11-2-1-3-13(4-11)18(20,21)22/h1-5,7H,6,8-10H2.
What are the key properties of 1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 366.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorooxetan-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 147124770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).