6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine

C18H18FN3 — CID 59559557

IUPAC6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2ccc3c(C4CCNCC4)c[nH]c3n2)cc1
InChIInChI=1S/C18H18FN3/c19-14-3-1-13(2-4-14)17-6-5-15-16(11-21-18(15)22-17)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2,(H,21,22)
InChIKeyYWKQDPSYXVXRBM-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.84
Rot. Bonds2

About 6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine

6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59559557) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID59559557
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2ccc3c(C4CCNCC4)c[nH]c3n2)cc1
InChIInChI=1S/C18H18FN3/c19-14-3-1-13(2-4-14)17-6-5-15-16(11-21-18(15)22-17)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2,(H,21,22)
InChIKeyYWKQDPSYXVXRBM-UHFFFAOYSA-N
XLogP3.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 59559557) is 6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2ccc3c(C4CCNCC4)c[nH]c3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YWKQDPSYXVXRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c19-14-3-1-13(2-4-14)17-6-5-15-16(11-21-18(15)22-17)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2,(H,21,22).
What are the key properties of 6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 295.36 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59559557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).