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

C23H21FN4O — CID 91090096

IUPAC(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol
SMILESC[C@@](O)(Cc1ccccc1)Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H21FN4O/c1-23(29,14-16-5-3-2-4-6-16)27-21-13-18(11-12-25-21)20-15-26-28-22(20)17-7-9-19(24)10-8-17/h2-13,15,29H,14H2,1H3,(H,25,27)(H,26,28)/t23-/m1/s1
InChIKeyGLRIMDRSDFOJNF-HSZRJFAPSA-N
MW388.45 g/mol
LogP4.64
Rot. Bonds6

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

(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol (PubChem CID 91090096) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol
PubChem CID91090096
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol
SMILESC[C@@](O)(Cc1ccccc1)Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H21FN4O/c1-23(29,14-16-5-3-2-4-6-16)27-21-13-18(11-12-25-21)20-15-26-28-22(20)17-7-9-19(24)10-8-17/h2-13,15,29H,14H2,1H3,(H,25,27)(H,26,28)/t23-/m1/s1
InChIKeyGLRIMDRSDFOJNF-HSZRJFAPSA-N
XLogP4.64
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol?
The IUPAC name of (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol (CID 91090096) is (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol.
What is the SMILES notation for (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol?
The canonical SMILES for (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol is C[C@@](O)(Cc1ccccc1)Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol?
The InChIKey is GLRIMDRSDFOJNF-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-23(29,14-16-5-3-2-4-6-16)27-21-13-18(11-12-25-21)20-15-26-28-22(20)17-7-9-19(24)10-8-17/h2-13,15,29H,14H2,1H3,(H,25,27)(H,26,28)/t23-/m1/s1.
What are the key properties of (2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol?
(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol has a molecular weight of 388.45 g/mol, XLogP of 4.64, 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]-1-phenylpropan-2-ol is sourced from PubChem (CID 91090096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).