[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol

C22H24FN3O — CID 155235132

IUPAC[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
SMILESCN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2CO)CC1
InChIInChI=1S/C22H24FN3O/c1-26-12-8-17(9-13-26)21-19(14-27)20(15-6-10-24-11-7-15)22(25-21)16-2-4-18(23)5-3-16/h2-7,10-11,17,25,27H,8-9,12-14H2,1H3
InChIKeyGPWXQRDAYYHGBV-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.18
Rot. Bonds4

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

[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol (PubChem CID 155235132) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
PubChem CID155235132
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
SMILESCN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2CO)CC1
InChIInChI=1S/C22H24FN3O/c1-26-12-8-17(9-13-26)21-19(14-27)20(15-6-10-24-11-7-15)22(25-21)16-2-4-18(23)5-3-16/h2-7,10-11,17,25,27H,8-9,12-14H2,1H3
InChIKeyGPWXQRDAYYHGBV-UHFFFAOYSA-N
XLogP4.18
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol (CID 155235132) is [5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol is CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2CO)CC1.
What is the InChIKey of [5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
The InChIKey is GPWXQRDAYYHGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-26-12-8-17(9-13-26)21-19(14-27)20(15-6-10-24-11-7-15)22(25-21)16-2-4-18(23)5-3-16/h2-7,10-11,17,25,27H,8-9,12-14H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol?
[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol has a molecular weight of 365.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 155235132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).