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

C21H22FN3O2 — CID 156810974

IUPAC(4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCC(O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)cc1
InChIInChI=1S/C21H22FN3O2/c1-14(26)15-2-4-19(5-3-15)25-11-6-16-12-17(13-23-20(16)25)21(27)24-9-7-18(22)8-10-24/h2-6,11-14,18,26H,7-10H2,1H3
InChIKeyDLHOTENOEDYGBT-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.65
Rot. Bonds3

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

(4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 156810974) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
PubChem CID156810974
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCC(O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)cc1
InChIInChI=1S/C21H22FN3O2/c1-14(26)15-2-4-19(5-3-15)25-11-6-16-12-17(13-23-20(16)25)21(27)24-9-7-18(22)8-10-24/h2-6,11-14,18,26H,7-10H2,1H3
InChIKeyDLHOTENOEDYGBT-UHFFFAOYSA-N
XLogP3.65
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.65
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-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 156810974) is (4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is CC(O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)cc1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The InChIKey is DLHOTENOEDYGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14(26)15-2-4-19(5-3-15)25-11-6-16-12-17(13-23-20(16)25)21(27)24-9-7-18(22)8-10-24/h2-6,11-14,18,26H,7-10H2,1H3.
What are the key properties of (4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
(4-fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 367.42 g/mol, XLogP of 3.65, 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-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 156810974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).