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

C19H16F3N3O4 — CID 44545306

IUPAC2-(morpholine-4-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)N1CCOCC1
InChIInChI=1S/C19H16F3N3O4/c20-19(21,22)29-14-4-2-13(3-5-14)25-16(26)6-1-12-11-15(23-17(12)25)18(27)24-7-9-28-10-8-24/h1-6,11,23H,7-10H2
InChIKeyUZZDVBNJKLMTOK-UHFFFAOYSA-N
MW407.35 g/mol
LogP2.69
Rot. Bonds3

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

2-(morpholine-4-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one (PubChem CID 44545306) has the molecular formula C19H16F3N3O4 and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-(morpholine-4-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-(morpholine-4-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one
PubChem CID44545306
Molecular FormulaC19H16F3N3O4
Molecular Weight407.35 g/mol
Exact Mass407.11
IUPAC Name2-(morpholine-4-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)N1CCOCC1
InChIInChI=1S/C19H16F3N3O4/c20-19(21,22)29-14-4-2-13(3-5-14)25-16(26)6-1-12-11-15(23-17(12)25)18(27)24-7-9-28-10-8-24/h1-6,11,23H,7-10H2
InChIKeyUZZDVBNJKLMTOK-UHFFFAOYSA-N
XLogP2.69
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 135524323
1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3671151
2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 168278523
N-(4-Methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,4-dihydro-1,8-naphthyridin-1-YL]acetamide
CID 53087056
6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 24605123
6-oxo-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 44545193
4-(3-fluoro-4-methoxyanilino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57500104
[3-[6-Morpholin-4-yl-4-[4-(trifluoromethoxy)anilino]pyridin-2-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 57941081
N-(1H-benzimidazol-2-ylmethyl)-6-oxo-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 58016317
6-oxo-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 58016367
N-[(3-methoxyphenyl)methyl]-6-oxo-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 58016394
6-oxo-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 58016404

Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one?
The IUPAC name of 2-(morpholine-4-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one (CID 44545306) is 2-(morpholine-4-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-(morpholine-4-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one?
The canonical SMILES for 2-(morpholine-4-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)N1CCOCC1.
What is the InChIKey of 2-(morpholine-4-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one?
The InChIKey is UZZDVBNJKLMTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4/c20-19(21,22)29-14-4-2-13(3-5-14)25-16(26)6-1-12-11-15(23-17(12)25)18(27)24-7-9-28-10-8-24/h1-6,11,23H,7-10H2.
What are the key properties of 2-(morpholine-4-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one?
2-(morpholine-4-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one has a molecular weight of 407.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-one is sourced from PubChem (CID 44545306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).