4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane

C30H35FN2 — CID 175913653

IUPAC4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane
SMILESCC(C)c1ccc(-c2cc(CC3CCCC34CCNCC4)ncc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C30H35FN2/c1-21(2)22-5-7-23(8-6-22)28-19-27(33-20-29(28)24-9-11-26(31)12-10-24)18-25-4-3-13-30(25)14-16-32-17-15-30/h5-12,19-21,25,32H,3-4,13-18H2,1-2H3
InChIKeyZYVSIMDBCMLPEV-UHFFFAOYSA-N
MW442.62 g/mol
LogP7.39
Rot. Bonds5

About 4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane

4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane (PubChem CID 175913653) has the molecular formula C30H35FN2 and a molecular weight of 442.62 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane
PubChem CID175913653
Molecular FormulaC30H35FN2
Molecular Weight442.62 g/mol
Exact Mass442.28
IUPAC Name4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane
SMILESCC(C)c1ccc(-c2cc(CC3CCCC34CCNCC4)ncc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C30H35FN2/c1-21(2)22-5-7-23(8-6-22)28-19-27(33-20-29(28)24-9-11-26(31)12-10-24)18-25-4-3-13-30(25)14-16-32-17-15-30/h5-12,19-21,25,32H,3-4,13-18H2,1-2H3
InChIKeyZYVSIMDBCMLPEV-UHFFFAOYSA-N
XLogP7.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.62
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane?
The IUPAC name of 4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane (CID 175913653) is 4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane is CC(C)c1ccc(-c2cc(CC3CCCC34CCNCC4)ncc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane?
The InChIKey is ZYVSIMDBCMLPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2/c1-21(2)22-5-7-23(8-6-22)28-19-27(33-20-29(28)24-9-11-26(31)12-10-24)18-25-4-3-13-30(25)14-16-32-17-15-30/h5-12,19-21,25,32H,3-4,13-18H2,1-2H3.
What are the key properties of 4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane?
4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane has a molecular weight of 442.62 g/mol, XLogP of 7.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 175913653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).