(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol

C22H19FN4O — CID 70208992

IUPAC(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
SMILESOC[C@H](Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C22H19FN4O/c23-18-8-6-16(7-9-18)22-19(13-25-27-22)17-10-11-24-21(12-17)26-20(14-28)15-4-2-1-3-5-15/h1-13,20,28H,14H2,(H,24,26)(H,25,27)/t20-/m0/s1
InChIKeyLJBLHYNALIAOMK-FQEVSTJZSA-N
MW374.42 g/mol
LogP4.42
Rot. Bonds6

About (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol

(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol (PubChem CID 70208992) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
PubChem CID70208992
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
SMILESOC[C@H](Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C22H19FN4O/c23-18-8-6-16(7-9-18)22-19(13-25-27-22)17-10-11-24-21(12-17)26-20(14-28)15-4-2-1-3-5-15/h1-13,20,28H,14H2,(H,24,26)(H,25,27)/t20-/m0/s1
InChIKeyLJBLHYNALIAOMK-FQEVSTJZSA-N
XLogP4.42
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol (CID 70208992) is (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol is OC[C@H](Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1.
What is the InChIKey of (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol?
The InChIKey is LJBLHYNALIAOMK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-18-8-6-16(7-9-18)22-19(13-25-27-22)17-10-11-24-21(12-17)26-20(14-28)15-4-2-1-3-5-15/h1-13,20,28H,14H2,(H,24,26)(H,25,27)/t20-/m0/s1.
What are the key properties of (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol?
(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol has a molecular weight of 374.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol is sourced from PubChem (CID 70208992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).