2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol

C26H26FN5O — CID 71260697

IUPAC2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol
SMILESOC(CN1CCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C26H26FN5O/c27-22-9-7-19(8-10-22)23-17-24(32(30-23)26-28-13-4-14-29-26)20-11-15-31(16-12-20)18-25(33)21-5-2-1-3-6-21/h1-10,13-14,17,20,25,33H,11-12,15-16,18H2
InChIKeyJCJITRIYHVHURR-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.38
Rot. Bonds6

About 2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol

2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol (PubChem CID 71260697) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol
PubChem CID71260697
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol
SMILESOC(CN1CCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C26H26FN5O/c27-22-9-7-19(8-10-22)23-17-24(32(30-23)26-28-13-4-14-29-26)20-11-15-31(16-12-20)18-25(33)21-5-2-1-3-6-21/h1-10,13-14,17,20,25,33H,11-12,15-16,18H2
InChIKeyJCJITRIYHVHURR-UHFFFAOYSA-N
XLogP4.38
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol (CID 71260697) is 2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol is OC(CN1CCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol?
The InChIKey is JCJITRIYHVHURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c27-22-9-7-19(8-10-22)23-17-24(32(30-23)26-28-13-4-14-29-26)20-11-15-31(16-12-20)18-25(33)21-5-2-1-3-6-21/h1-10,13-14,17,20,25,33H,11-12,15-16,18H2.
What are the key properties of 2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol?
2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol has a molecular weight of 443.53 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 71260697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).