(3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone

C23H26FNO — CID 157246275

IUPAC(3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone
SMILESCCc1ccc(C2CC2)c(C(=O)C2CCC(c3cccc(F)c3)CC2)n1
InChIInChI=1S/C23H26FNO/c1-2-20-12-13-21(16-8-9-16)22(25-20)23(26)17-10-6-15(7-11-17)18-4-3-5-19(24)14-18/h3-5,12-17H,2,6-11H2,1H3
InChIKeyPPAOKHJJQXCEPT-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.82
Rot. Bonds5

About (3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone

(3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone (PubChem CID 157246275) has the molecular formula C23H26FNO and a molecular weight of 351.47 g/mol. Its IUPAC name is (3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone
PubChem CID157246275
Molecular FormulaC23H26FNO
Molecular Weight351.47 g/mol
Exact Mass351.20
IUPAC Name(3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone
SMILESCCc1ccc(C2CC2)c(C(=O)C2CCC(c3cccc(F)c3)CC2)n1
InChIInChI=1S/C23H26FNO/c1-2-20-12-13-21(16-8-9-16)22(25-20)23(26)17-10-6-15(7-11-17)18-4-3-5-19(24)14-18/h3-5,12-17H,2,6-11H2,1H3
InChIKeyPPAOKHJJQXCEPT-UHFFFAOYSA-N
XLogP5.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone?
The IUPAC name of (3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone (CID 157246275) is (3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone.
What is the SMILES notation for (3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone?
The canonical SMILES for (3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone is CCc1ccc(C2CC2)c(C(=O)C2CCC(c3cccc(F)c3)CC2)n1.
What is the InChIKey of (3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone?
The InChIKey is PPAOKHJJQXCEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO/c1-2-20-12-13-21(16-8-9-16)22(25-20)23(26)17-10-6-15(7-11-17)18-4-3-5-19(24)14-18/h3-5,12-17H,2,6-11H2,1H3.
What are the key properties of (3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone?
(3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone has a molecular weight of 351.47 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone is sourced from PubChem (CID 157246275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).