1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile

C22H18F2N4O — CID 59442651

IUPAC1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)CCC(Oc2ncccn2)(c2ccc(F)cn2)CC1
InChIInChI=1S/C22H18F2N4O/c23-17-4-2-16(3-5-17)21(15-25)8-10-22(11-9-21,19-7-6-18(24)14-28-19)29-20-26-12-1-13-27-20/h1-7,12-14H,8-11H2
InChIKeyUFJAORMLZLOYDI-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.46
Rot. Bonds4

About 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile

1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile (PubChem CID 59442651) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile
PubChem CID59442651
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)CCC(Oc2ncccn2)(c2ccc(F)cn2)CC1
InChIInChI=1S/C22H18F2N4O/c23-17-4-2-16(3-5-17)21(15-25)8-10-22(11-9-21,19-7-6-18(24)14-28-19)29-20-26-12-1-13-27-20/h1-7,12-14H,8-11H2
InChIKeyUFJAORMLZLOYDI-UHFFFAOYSA-N
XLogP4.46
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile (CID 59442651) is 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile is N#CC1(c2ccc(F)cc2)CCC(Oc2ncccn2)(c2ccc(F)cn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile?
The InChIKey is UFJAORMLZLOYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c23-17-4-2-16(3-5-17)21(15-25)8-10-22(11-9-21,19-7-6-18(24)14-28-19)29-20-26-12-1-13-27-20/h1-7,12-14H,8-11H2.
What are the key properties of 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile?
1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile has a molecular weight of 392.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(5-fluoro-2-pyridinyl)-4-pyrimidin-2-yloxycyclohexane-1-carbonitrile is sourced from PubChem (CID 59442651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).