2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one

C19H16F3N3O3 — CID 58016408

IUPAC2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one
SMILESO=C(c1cc2ccc(=O)n(-c3ccc(OC(F)(F)F)cc3)c2[nH]1)N1CCCC1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)28-14-6-4-13(5-7-14)25-16(26)8-3-12-11-15(23-17(12)25)18(27)24-9-1-2-10-24/h3-8,11,23H,1-2,9-10H2
InChIKeyJOSGRYWVCRWXLV-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.45
Rot. Bonds3

About 2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one

2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one (PubChem CID 58016408) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one
PubChem CID58016408
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one
SMILESO=C(c1cc2ccc(=O)n(-c3ccc(OC(F)(F)F)cc3)c2[nH]1)N1CCCC1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)28-14-6-4-13(5-7-14)25-16(26)8-3-12-11-15(23-17(12)25)18(27)24-9-1-2-10-24/h3-8,11,23H,1-2,9-10H2
InChIKeyJOSGRYWVCRWXLV-UHFFFAOYSA-N
XLogP3.45
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one?
The IUPAC name of 2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one (CID 58016408) is 2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one?
The canonical SMILES for 2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one is O=C(c1cc2ccc(=O)n(-c3ccc(OC(F)(F)F)cc3)c2[nH]1)N1CCCC1.
What is the InChIKey of 2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one?
The InChIKey is JOSGRYWVCRWXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-19(21,22)28-14-6-4-13(5-7-14)25-16(26)8-3-12-11-15(23-17(12)25)18(27)24-9-1-2-10-24/h3-8,11,23H,1-2,9-10H2.
What are the key properties of 2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one?
2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one has a molecular weight of 391.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidine-1-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one is sourced from PubChem (CID 58016408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).