3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol

C22H19FN4O — CID 56597335

IUPAC3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol
SMILESOCCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1
InChIInChI=1S/C22H19FN4O/c23-21-5-2-1-4-20(21)22-11-16(6-7-25-22)17-10-18(13-24-12-17)19-14-26-27(15-19)8-3-9-28/h1-2,4-7,10-15,28H,3,8-9H2
InChIKeyRKXXZUFNFOWZNX-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.20
Rot. Bonds6

About 3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol

3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol (PubChem CID 56597335) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol
PubChem CID56597335
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol
SMILESOCCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1
InChIInChI=1S/C22H19FN4O/c23-21-5-2-1-4-20(21)22-11-16(6-7-25-22)17-10-18(13-24-12-17)19-14-26-27(15-19)8-3-9-28/h1-2,4-7,10-15,28H,3,8-9H2
InChIKeyRKXXZUFNFOWZNX-UHFFFAOYSA-N
XLogP4.20
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol (CID 56597335) is 3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol is OCCCn1cc(-c2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1.
What is the InChIKey of 3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol?
The InChIKey is RKXXZUFNFOWZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-21-5-2-1-4-20(21)22-11-16(6-7-25-22)17-10-18(13-24-12-17)19-14-26-27(15-19)8-3-9-28/h1-2,4-7,10-15,28H,3,8-9H2.
What are the key properties of 3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol?
3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol has a molecular weight of 374.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 56597335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).