[2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol

C25H25NOS2 — CID 24744944

IUPAC[2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESCCCCc1ccc(-c2scc(-c3ccc(C)s3)c2C(O)c2cccnc2)cc1
InChIInChI=1S/C25H25NOS2/c1-3-4-6-18-9-11-19(12-10-18)25-23(24(27)20-7-5-14-26-15-20)21(16-28-25)22-13-8-17(2)29-22/h5,7-16,24,27H,3-4,6H2,1-2H3
InChIKeyNMZNGWUZDPWBPE-UHFFFAOYSA-N
MW419.62 g/mol
LogP7.27
Rot. Bonds7

About [2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol

[2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 24744944) has the molecular formula C25H25NOS2 and a molecular weight of 419.62 g/mol. Its IUPAC name is [2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID24744944
Molecular FormulaC25H25NOS2
Molecular Weight419.62 g/mol
Exact Mass419.14
IUPAC Name[2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESCCCCc1ccc(-c2scc(-c3ccc(C)s3)c2C(O)c2cccnc2)cc1
InChIInChI=1S/C25H25NOS2/c1-3-4-6-18-9-11-19(12-10-18)25-23(24(27)20-7-5-14-26-15-20)21(16-28-25)22-13-8-17(2)29-22/h5,7-16,24,27H,3-4,6H2,1-2H3
InChIKeyNMZNGWUZDPWBPE-UHFFFAOYSA-N
XLogP7.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.62
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol (CID 24744944) is [2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol is CCCCc1ccc(-c2scc(-c3ccc(C)s3)c2C(O)c2cccnc2)cc1.
What is the InChIKey of [2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is NMZNGWUZDPWBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NOS2/c1-3-4-6-18-9-11-19(12-10-18)25-23(24(27)20-7-5-14-26-15-20)21(16-28-25)22-13-8-17(2)29-22/h5,7-16,24,27H,3-4,6H2,1-2H3.
What are the key properties of [2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol?
[2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 419.62 g/mol, XLogP of 7.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butylphenyl)-4-(5-methylthiophen-2-yl)thiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 24744944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).