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

C23H20F2N4O — CID 69350759

IUPAC1-fluoro-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)CF)cn3)c2)n1
InChIInChI=1S/C23H20F2N4O/c1-14-4-3-5-21(28-14)22-18(12-27-29-22)15-6-8-19(25)17(10-15)20-9-7-16(11-26-20)23(2,30)13-24/h3-12,30H,13H2,1-2H3,(H,27,29)
InChIKeyATZPNXNXIZAJLI-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.83
Rot. Bonds5

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

1-fluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol (PubChem CID 69350759) has the molecular formula C23H20F2N4O and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-fluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
PubChem CID69350759
Molecular FormulaC23H20F2N4O
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name1-fluoro-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)CF)cn3)c2)n1
InChIInChI=1S/C23H20F2N4O/c1-14-4-3-5-21(28-14)22-18(12-27-29-22)15-6-8-19(25)17(10-15)20-9-7-16(11-26-20)23(2,30)13-24/h3-12,30H,13H2,1-2H3,(H,27,29)
InChIKeyATZPNXNXIZAJLI-UHFFFAOYSA-N
XLogP4.83
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-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-fluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol (CID 69350759) is 1-fluoro-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-fluoro-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-fluoro-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)CF)cn3)c2)n1.
What is the InChIKey of 1-fluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol?
The InChIKey is ATZPNXNXIZAJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O/c1-14-4-3-5-21(28-14)22-18(12-27-29-22)15-6-8-19(25)17(10-15)20-9-7-16(11-26-20)23(2,30)13-24/h3-12,30H,13H2,1-2H3,(H,27,29).
What are the key properties of 1-fluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol?
1-fluoro-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 406.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-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 69350759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).