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

C21H22FN3O2 — CID 156811032

IUPAC(4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCC(O)c1cccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)c1
InChIInChI=1S/C21H22FN3O2/c1-14(26)15-3-2-4-19(12-15)25-10-5-16-11-17(13-23-20(16)25)21(27)24-8-6-18(22)7-9-24/h2-5,10-14,18,26H,6-9H2,1H3
InChIKeyYCTDGPKPMVWKBS-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.65
Rot. Bonds3

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

(4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 156811032) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
PubChem CID156811032
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCC(O)c1cccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)c1
InChIInChI=1S/C21H22FN3O2/c1-14(26)15-3-2-4-19(12-15)25-10-5-16-11-17(13-23-20(16)25)21(27)24-8-6-18(22)7-9-24/h2-5,10-14,18,26H,6-9H2,1H3
InChIKeyYCTDGPKPMVWKBS-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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Related Compounds

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CID 89523011
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CID 89523537
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CID 70817712
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CID 70817787
CID 70817787
CID 118206203
CID 118206203
CID 118206359
CID 118206359
CID 118206365
CID 118206365
CID 118206619
CID 118206619
CID 118207024
CID 118207024
CID 121596737
CID 121596737
CID 156810719
CID 156810719

Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 156811032) is (4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is CC(O)c1cccc(-n2ccc3cc(C(=O)N4CCC(F)CC4)cnc32)c1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The InChIKey is YCTDGPKPMVWKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14(26)15-3-2-4-19(12-15)25-10-5-16-11-17(13-23-20(16)25)21(27)24-8-6-18(22)7-9-24/h2-5,10-14,18,26H,6-9H2,1H3.
What are the key properties of (4-fluoropiperidin-1-yl)-[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
(4-fluoropiperidin-1-yl)-[1-[3-(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-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 156811032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).