6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid

C19H18N4O3S — CID 139311136

IUPAC6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2c(-c3ccn[nH]3)ccn2c1C(C)OCc1nccs1
InChIInChI=1S/C19H18N4O3S/c1-11-14(19(24)25)9-16-13(15-3-5-21-22-15)4-7-23(16)18(11)12(2)26-10-17-20-6-8-27-17/h3-9,12H,10H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyPIBJOFXFRJUGHL-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.07
Rot. Bonds6

About 6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid

6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid (PubChem CID 139311136) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid
PubChem CID139311136
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2c(-c3ccn[nH]3)ccn2c1C(C)OCc1nccs1
InChIInChI=1S/C19H18N4O3S/c1-11-14(19(24)25)9-16-13(15-3-5-21-22-15)4-7-23(16)18(11)12(2)26-10-17-20-6-8-27-17/h3-9,12H,10H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyPIBJOFXFRJUGHL-UHFFFAOYSA-N
XLogP4.07
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid 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 6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid?
The IUPAC name of 6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid (CID 139311136) is 6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid?
The canonical SMILES for 6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2c(-c3ccn[nH]3)ccn2c1C(C)OCc1nccs1.
What is the InChIKey of 6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid?
The InChIKey is PIBJOFXFRJUGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-11-14(19(24)25)9-16-13(15-3-5-21-22-15)4-7-23(16)18(11)12(2)26-10-17-20-6-8-27-17/h3-9,12H,10H2,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid?
6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid has a molecular weight of 382.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid is sourced from PubChem (CID 139311136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).