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

C23H21FN4O — CID 11552812

IUPAC2-[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)(C)O)cn3)c2)n1
InChIInChI=1S/C23H21FN4O/c1-14-5-4-6-21(27-14)22-18(13-26-28-22)15-7-9-19(24)17(11-15)20-10-8-16(12-25-20)23(2,3)29/h4-13,29H,1-3H3,(H,26,28)
InChIKeyDHPAUNCPZSLNIZ-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.88
Rot. Bonds4

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

2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol (PubChem CID 11552812) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
PubChem CID11552812
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name2-[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)(C)O)cn3)c2)n1
InChIInChI=1S/C23H21FN4O/c1-14-5-4-6-21(27-14)22-18(13-26-28-22)15-7-9-19(24)17(11-15)20-10-8-16(12-25-20)23(2,3)29/h4-13,29H,1-3H3,(H,26,28)
InChIKeyDHPAUNCPZSLNIZ-UHFFFAOYSA-N
XLogP4.88
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol (CID 11552812) is 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 2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 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)(C)O)cn3)c2)n1.
What is the InChIKey of 2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol?
The InChIKey is DHPAUNCPZSLNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-14-5-4-6-21(27-14)22-18(13-26-28-22)15-7-9-19(24)17(11-15)20-10-8-16(12-25-20)23(2,3)29/h4-13,29H,1-3H3,(H,26,28).
What are the key properties of 2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol?
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 388.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 11552812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).