1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol

C23H18F4N4O — CID 69350775

IUPAC1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(C(C)(O)C(F)(F)F)cn3)c2)n1
InChIInChI=1S/C23H18F4N4O/c1-13-4-3-5-20(30-13)21-17(12-29-31-21)14-6-8-18(24)16(10-14)19-9-7-15(11-28-19)22(2,32)23(25,26)27/h3-12,32H,1-2H3,(H,29,31)
InChIKeyDDRRTEKAWDWFRU-UHFFFAOYSA-N
MW442.42 g/mol
LogP5.42
Rot. Bonds4

About 1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol

1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol (PubChem CID 69350775) has the molecular formula C23H18F4N4O and a molecular weight of 442.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
PubChem CID69350775
Molecular FormulaC23H18F4N4O
Molecular Weight442.42 g/mol
Exact Mass442.14
IUPAC Name1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(C(C)(O)C(F)(F)F)cn3)c2)n1
InChIInChI=1S/C23H18F4N4O/c1-13-4-3-5-20(30-13)21-17(12-29-31-21)14-6-8-18(24)16(10-14)19-9-7-15(11-28-19)22(2,32)23(25,26)27/h3-12,32H,1-2H3,(H,29,31)
InChIKeyDDRRTEKAWDWFRU-UHFFFAOYSA-N
XLogP5.42
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.42
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol 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 1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol (CID 69350775) is 1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(C(C)(O)C(F)(F)F)cn3)c2)n1.
What is the InChIKey of 1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol?
The InChIKey is DDRRTEKAWDWFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O/c1-13-4-3-5-20(30-13)21-17(12-29-31-21)14-6-8-18(24)16(10-14)19-9-7-15(11-28-19)22(2,32)23(25,26)27/h3-12,32H,1-2H3,(H,29,31).
What are the key properties of 1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol?
1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol has a molecular weight of 442.42 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 69350775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).