[7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol

C27H19F3N4O2S — CID 144980013

IUPAC[7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol
SMILESOCc1cc2cc(-c3cccc(-c4c(CO)c(C(F)(F)F)c5ccccn45)n3)ccn2c1-c1cscn1
InChIInChI=1S/C27H19F3N4O2S/c28-27(29,30)24-19(13-36)26(34-8-2-1-6-23(24)34)21-5-3-4-20(32-21)16-7-9-33-18(10-16)11-17(12-35)25(33)22-14-37-15-31-22/h1-11,14-15,35-36H,12-13H2
InChIKeyCFYCKACCRCTZHX-UHFFFAOYSA-N
MW520.54 g/mol
LogP6.05
Rot. Bonds5

About [7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol

[7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol (PubChem CID 144980013) has the molecular formula C27H19F3N4O2S and a molecular weight of 520.54 g/mol. Its IUPAC name is [7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol.

Molecular Properties

Compound Name[7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol
PubChem CID144980013
Molecular FormulaC27H19F3N4O2S
Molecular Weight520.54 g/mol
Exact Mass520.12
IUPAC Name[7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol
SMILESOCc1cc2cc(-c3cccc(-c4c(CO)c(C(F)(F)F)c5ccccn45)n3)ccn2c1-c1cscn1
InChIInChI=1S/C27H19F3N4O2S/c28-27(29,30)24-19(13-36)26(34-8-2-1-6-23(24)34)21-5-3-4-20(32-21)16-7-9-33-18(10-16)11-17(12-35)25(33)22-14-37-15-31-22/h1-11,14-15,35-36H,12-13H2
InChIKeyCFYCKACCRCTZHX-UHFFFAOYSA-N
XLogP6.05
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.54
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol 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 [7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol?
The IUPAC name of [7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol (CID 144980013) is [7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol.
What is the SMILES notation for [7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol?
The canonical SMILES for [7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol is OCc1cc2cc(-c3cccc(-c4c(CO)c(C(F)(F)F)c5ccccn45)n3)ccn2c1-c1cscn1.
What is the InChIKey of [7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol?
The InChIKey is CFYCKACCRCTZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O2S/c28-27(29,30)24-19(13-36)26(34-8-2-1-6-23(24)34)21-5-3-4-20(32-21)16-7-9-33-18(10-16)11-17(12-35)25(33)22-14-37-15-31-22/h1-11,14-15,35-36H,12-13H2.
What are the key properties of [7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol?
[7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol has a molecular weight of 520.54 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[6-[2-(hydroxymethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-(1,3-thiazol-4-yl)indolizin-2-yl]methanol is sourced from PubChem (CID 144980013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).