[5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol

C24H30FNO — CID 87418925

IUPAC[5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol
SMILESCC(C)C1=NC(C(C)C)=C(CO)C(c2ccc(F)cc2)C1=C=C1CCCC1
InChIInChI=1S/C24H30FNO/c1-15(2)23-20(13-17-7-5-6-8-17)22(18-9-11-19(25)12-10-18)21(14-27)24(26-23)16(3)4/h9-12,15-16,22,27H,5-8,14H2,1-4H3
InChIKeyGFVROBXZZVJBOO-UHFFFAOYSA-N
MW367.51 g/mol
LogP5.95
Rot. Bonds4

About [5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol

[5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol (PubChem CID 87418925) has the molecular formula C24H30FNO and a molecular weight of 367.51 g/mol. Its IUPAC name is [5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol
PubChem CID87418925
Molecular FormulaC24H30FNO
Molecular Weight367.51 g/mol
Exact Mass367.23
IUPAC Name[5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol
SMILESCC(C)C1=NC(C(C)C)=C(CO)C(c2ccc(F)cc2)C1=C=C1CCCC1
InChIInChI=1S/C24H30FNO/c1-15(2)23-20(13-17-7-5-6-8-17)22(18-9-11-19(25)12-10-18)21(14-27)24(26-23)16(3)4/h9-12,15-16,22,27H,5-8,14H2,1-4H3
InChIKeyGFVROBXZZVJBOO-UHFFFAOYSA-N
XLogP5.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.51
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol?
The IUPAC name of [5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol (CID 87418925) is [5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol.
What is the SMILES notation for [5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol?
The canonical SMILES for [5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol is CC(C)C1=NC(C(C)C)=C(CO)C(c2ccc(F)cc2)C1=C=C1CCCC1.
What is the InChIKey of [5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol?
The InChIKey is GFVROBXZZVJBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO/c1-15(2)23-20(13-17-7-5-6-8-17)22(18-9-11-19(25)12-10-18)21(14-27)24(26-23)16(3)4/h9-12,15-16,22,27H,5-8,14H2,1-4H3.
What are the key properties of [5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol?
[5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol has a molecular weight of 367.51 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopentylidenemethylidene)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-4H-pyridin-3-yl]methanol is sourced from PubChem (CID 87418925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).