(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

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

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Related Compounds

[4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone
CID 159396738
[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone
CID 134381366
[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone
CID 162717058
tert-butyl N-[[5-cyclopropyl-6-(4-phenylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
CID 134381262
3-cyclopropyl-6-ethyl-2-fluoropyridine
CID 165140401
tert-butyl N-[[6-[4-(4-chloro-3-fluorophenyl)cyclohexanecarbonyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate
CID 150960569
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(3-fluorophenyl)cyclohexyl]methanone
CID 134381318
[5-cyclopropyl-6-[4-(4-fluoronaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate
CID 175210831
[6-(2-aminoiodanuidylethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-chlorophenyl)cyclohexyl]methanone
CID 153313601
tert-butyl N-[[5-cyclopropyl-6-[4-[6-(trifluoromethyl)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate
CID 134381173
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene
CID 139725252

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).