2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol

C22H23F2N5O — CID 18545335

IUPAC2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol
SMILESCc1c(/C=C/CN2CCN(c3cc(F)cc(F)c3)CC2)cnn1-c1ncccc1O
InChIInChI=1S/C22H23F2N5O/c1-16-17(15-26-29(16)22-21(30)5-2-6-25-22)4-3-7-27-8-10-28(11-9-27)20-13-18(23)12-19(24)14-20/h2-6,12-15,30H,7-11H2,1H3/b4-3+
InChIKeyRARZEMOZFVQBHC-ONEGZZNKSA-N
MW411.46 g/mol
LogP3.39
Rot. Bonds5

About 2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol

2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol (PubChem CID 18545335) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol
PubChem CID18545335
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol
SMILESCc1c(/C=C/CN2CCN(c3cc(F)cc(F)c3)CC2)cnn1-c1ncccc1O
InChIInChI=1S/C22H23F2N5O/c1-16-17(15-26-29(16)22-21(30)5-2-6-25-22)4-3-7-27-8-10-28(11-9-27)20-13-18(23)12-19(24)14-20/h2-6,12-15,30H,7-11H2,1H3/b4-3+
InChIKeyRARZEMOZFVQBHC-ONEGZZNKSA-N
XLogP3.39
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol?
The IUPAC name of 2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol (CID 18545335) is 2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol.
What is the SMILES notation for 2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol?
The canonical SMILES for 2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol is Cc1c(/C=C/CN2CCN(c3cc(F)cc(F)c3)CC2)cnn1-c1ncccc1O.
What is the InChIKey of 2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol?
The InChIKey is RARZEMOZFVQBHC-ONEGZZNKSA-N. The full InChI is InChI=1S/C22H23F2N5O/c1-16-17(15-26-29(16)22-21(30)5-2-6-25-22)4-3-7-27-8-10-28(11-9-27)20-13-18(23)12-19(24)14-20/h2-6,12-15,30H,7-11H2,1H3/b4-3+.
What are the key properties of 2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol?
2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol has a molecular weight of 411.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyridin-3-ol is sourced from PubChem (CID 18545335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).