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

C20H20FN3O2 — CID 156811345

IUPAC(4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESO=C(c1cnc2c(ccn2-c2cccc(CO)c2)c1)N1CCC(F)CC1
InChIInChI=1S/C20H20FN3O2/c21-17-5-7-23(8-6-17)20(26)16-11-15-4-9-24(19(15)22-12-16)18-3-1-2-14(10-18)13-25/h1-4,9-12,17,25H,5-8,13H2
InChIKeyPHDADSHXYHHMFL-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.09
Rot. Bonds3

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

(4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 156811345) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
PubChem CID156811345
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESO=C(c1cnc2c(ccn2-c2cccc(CO)c2)c1)N1CCC(F)CC1
InChIInChI=1S/C20H20FN3O2/c21-17-5-7-23(8-6-17)20(26)16-11-15-4-9-24(19(15)22-12-16)18-3-1-2-14(10-18)13-25/h1-4,9-12,17,25H,5-8,13H2
InChIKeyPHDADSHXYHHMFL-UHFFFAOYSA-N
XLogP3.09
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)benzoic acid
CID 23646627
3-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzoic acid
CID 23646643
4-({1-[5-(hydroxymethyl)pyridine-2-yl]piperidine-4-yl}amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 24958855
3-[2-[8-[(3-Fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]benzoic acid
CID 89523011
4-[2-[8-[(3-Fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]benzoic acid
CID 89523537
[1-[5-[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 45226955
2-Hydroxy-N-[5-(7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-pyridin-3-yl]-2-phenyl-acetamide
CID 70817712
2-[3-(hydroxymethyl)phenyl]-N-{5-[(7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl]pyridin-3-yl}acetamide
CID 70817787
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[3-(2-hydroxypropan-2-yl)anilino]pyridine-3-carboxamide
CID 118206203
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide
CID 118206365
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[3-(hydroxymethyl)anilino]pyridine-3-carboxamide
CID 118207024
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-[[3-(hydroxymethyl)cyclohexyl]amino]pyridine-3-carboxamide
CID 121596737

Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 156811345) is (4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is O=C(c1cnc2c(ccn2-c2cccc(CO)c2)c1)N1CCC(F)CC1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The InChIKey is PHDADSHXYHHMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-17-5-7-23(8-6-17)20(26)16-11-15-4-9-24(19(15)22-12-16)18-3-1-2-14(10-18)13-25/h1-4,9-12,17,25H,5-8,13H2.
What are the key properties of (4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
(4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 353.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 156811345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).