[4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol

C21H15ClF2N2OS — CID 58463422

IUPAC[4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
SMILESCn1cc(-c2ccc(Cl)s2)c(C(O)c2cccnc2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C21H15ClF2N2OS/c1-26-11-16(17-4-5-18(22)28-17)19(21(27)12-3-2-6-25-10-12)20(26)13-7-14(23)9-15(24)8-13/h2-11,21,27H,1H3
InChIKeyWDSVGRXEEJCDNC-UHFFFAOYSA-N
MW416.88 g/mol
LogP5.83
Rot. Bonds4

About [4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol

[4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463422) has the molecular formula C21H15ClF2N2OS and a molecular weight of 416.88 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
PubChem CID58463422
Molecular FormulaC21H15ClF2N2OS
Molecular Weight416.88 g/mol
Exact Mass416.06
IUPAC Name[4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
SMILESCn1cc(-c2ccc(Cl)s2)c(C(O)c2cccnc2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C21H15ClF2N2OS/c1-26-11-16(17-4-5-18(22)28-17)19(21(27)12-3-2-6-25-10-12)20(26)13-7-14(23)9-15(24)8-13/h2-11,21,27H,1H3
InChIKeyWDSVGRXEEJCDNC-UHFFFAOYSA-N
XLogP5.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.88
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol (CID 58463422) is [4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol is Cn1cc(-c2ccc(Cl)s2)c(C(O)c2cccnc2)c1-c1cc(F)cc(F)c1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol?
The InChIKey is WDSVGRXEEJCDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2OS/c1-26-11-16(17-4-5-18(22)28-17)19(21(27)12-3-2-6-25-10-12)20(26)13-7-14(23)9-15(24)8-13/h2-11,21,27H,1H3.
What are the key properties of [4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol?
[4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol has a molecular weight of 416.88 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).