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(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone

C20H20FN3O2 — CID 156811434

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCOc1ccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)cc1
InChIInChI=1S/C20H20FN3O2/c1-26-18-4-2-17(3-5-18)24-11-6-14-12-15(13-22-19(14)24)20(25)23-9-7-16(21)8-10-23/h2-6,11-13,16H,7-10H2,1H3
InChIKeyLRHFWFZPXRDSQH-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.61
Rot. Bonds3

About (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone

(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 156811434) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone
PubChem CID156811434
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCOc1ccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)cc1
InChIInChI=1S/C20H20FN3O2/c1-26-18-4-2-17(3-5-18)24-11-6-14-12-15(13-22-19(14)24)20(25)23-9-7-16(21)8-10-23/h2-6,11-13,16H,7-10H2,1H3
InChIKeyLRHFWFZPXRDSQH-UHFFFAOYSA-N
XLogP3.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 156811434) is (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone is COc1ccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)cc1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone?
The InChIKey is LRHFWFZPXRDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-26-18-4-2-17(3-5-18)24-11-6-14-12-15(13-22-19(14)24)20(25)23-9-7-16(21)8-10-23/h2-6,11-13,16H,7-10H2,1H3.
What are the key properties of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone?
(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 353.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 156811434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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