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

C20H20FN3O2 — CID 156811016

IUPAC(4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESO=C(c1cnc2c(ccn2-c2ccc(CO)cc2)c1)N1CCC(F)CC1
InChIInChI=1S/C20H20FN3O2/c21-17-6-8-23(9-7-17)20(26)16-11-15-5-10-24(19(15)22-12-16)18-3-1-14(13-25)2-4-18/h1-5,10-12,17,25H,6-9,13H2
InChIKeyFOWKXUPFBFCMRC-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.09
Rot. Bonds3

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

(4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 156811016) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
PubChem CID156811016
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESO=C(c1cnc2c(ccn2-c2ccc(CO)cc2)c1)N1CCC(F)CC1
InChIInChI=1S/C20H20FN3O2/c21-17-6-8-23(9-7-17)20(26)16-11-15-5-10-24(19(15)22-12-16)18-3-1-14(13-25)2-4-18/h1-5,10-12,17,25H,6-9,13H2
InChIKeyFOWKXUPFBFCMRC-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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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 156811016) is (4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is O=C(c1cnc2c(ccn2-c2ccc(CO)cc2)c1)N1CCC(F)CC1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The InChIKey is FOWKXUPFBFCMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-17-6-8-23(9-7-17)20(26)16-11-15-5-10-24(19(15)22-12-16)18-3-1-14(13-25)2-4-18/h1-5,10-12,17,25H,6-9,13H2.
What are the key properties of (4-fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
(4-fluoropiperidin-1-yl)-[1-[4-(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-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 156811016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).