(2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone

C19H16FN3O — CID 112535016

IUPAC(2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
SMILESO=C(c1ccccc1F)n1cc(C2=CCNCC2)c2ncccc21
InChIInChI=1S/C19H16FN3O/c20-16-5-2-1-4-14(16)19(24)23-12-15(13-7-10-21-11-8-13)18-17(23)6-3-9-22-18/h1-7,9,12,21H,8,10-11H2
InChIKeyUMRKLMWHZUIUES-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.24
Rot. Bonds2

About (2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone

(2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone (PubChem CID 112535016) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
PubChem CID112535016
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name(2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
SMILESO=C(c1ccccc1F)n1cc(C2=CCNCC2)c2ncccc21
InChIInChI=1S/C19H16FN3O/c20-16-5-2-1-4-14(16)19(24)23-12-15(13-7-10-21-11-8-13)18-17(23)6-3-9-22-18/h1-7,9,12,21H,8,10-11H2
InChIKeyUMRKLMWHZUIUES-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
CID 112535017
3-(4-fluorophenyl)-1-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-one
CID 112535094
2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
CID 112533829
(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
CID 91690338
1-(2-fluorobenzoyl)indole-3-carbohydrazide
CID 91690349
1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 83197655
1-(2-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792234
1-(2-fluorobenzoyl)indole-3-carbonitrile
CID 82122318
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
(2-fluorophenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82243413
4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine
CID 173215184
4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one
CID 58138297

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone (CID 112535016) is (2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone is O=C(c1ccccc1F)n1cc(C2=CCNCC2)c2ncccc21.
What is the InChIKey of (2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone?
The InChIKey is UMRKLMWHZUIUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-16-5-2-1-4-14(16)19(24)23-12-15(13-7-10-21-11-8-13)18-17(23)6-3-9-22-18/h1-7,9,12,21H,8,10-11H2.
What are the key properties of (2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone?
(2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone has a molecular weight of 321.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone is sourced from PubChem (CID 112535016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).