4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide

C20H21FN3- — CID 163621956

IUPAC4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide
SMILESFc1ccc(-c2[nH]c(C3CCNCC3)cc2C2=CC[N-]C=C2)cc1
InChIInChI=1S/C20H21FN3/c21-17-3-1-16(2-4-17)20-18(14-5-9-22-10-6-14)13-19(24-20)15-7-11-23-12-8-15/h1-6,9,13,15,23-24H,7-8,10-12H2/q-1
InChIKeyHOWFJJDERHNWTQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.57
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide

4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide (PubChem CID 163621956) has the molecular formula C20H21FN3- and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide
PubChem CID163621956
Molecular FormulaC20H21FN3-
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide
SMILESFc1ccc(-c2[nH]c(C3CCNCC3)cc2C2=CC[N-]C=C2)cc1
InChIInChI=1S/C20H21FN3/c21-17-3-1-16(2-4-17)20-18(14-5-9-22-10-6-14)13-19(24-20)15-7-11-23-12-8-15/h1-6,9,13,15,23-24H,7-8,10-12H2/q-1
InChIKeyHOWFJJDERHNWTQ-UHFFFAOYSA-N
XLogP4.57
TPSA41.92 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide (CID 163621956) is 4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide is Fc1ccc(-c2[nH]c(C3CCNCC3)cc2C2=CC[N-]C=C2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide?
The InChIKey is HOWFJJDERHNWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN3/c21-17-3-1-16(2-4-17)20-18(14-5-9-22-10-6-14)13-19(24-20)15-7-11-23-12-8-15/h1-6,9,13,15,23-24H,7-8,10-12H2/q-1.
What are the key properties of 4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide?
4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide has a molecular weight of 322.41 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]-2H-pyridin-1-ide is sourced from PubChem (CID 163621956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).