methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

C18H16ClF3N4O4 — CID 67085092

IUPACmethyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(C(F)(F)F)cc(-c3cnn(C(=O)OC(C)(C)C)c3)cn2c1Cl
InChIInChI=1S/C18H16ClF3N4O4/c1-17(2,3)30-16(28)26-8-10(6-23-26)9-5-11(18(20,21)22)14-24-12(15(27)29-4)13(19)25(14)7-9/h5-8H,1-4H3
InChIKeyRQWJTTJSOVZRGR-UHFFFAOYSA-N
MW444.80 g/mol
LogP4.44
Rot. Bonds2

About methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 67085092) has the molecular formula C18H16ClF3N4O4 and a molecular weight of 444.80 g/mol. Its IUPAC name is methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID67085092
Molecular FormulaC18H16ClF3N4O4
Molecular Weight444.80 g/mol
Exact Mass444.08
IUPAC Namemethyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(C(F)(F)F)cc(-c3cnn(C(=O)OC(C)(C)C)c3)cn2c1Cl
InChIInChI=1S/C18H16ClF3N4O4/c1-17(2,3)30-16(28)26-8-10(6-23-26)9-5-11(18(20,21)22)14-24-12(15(27)29-4)13(19)25(14)7-9/h5-8H,1-4H3
InChIKeyRQWJTTJSOVZRGR-UHFFFAOYSA-N
XLogP4.44
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.80
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate 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 methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 67085092) is methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2c(C(F)(F)F)cc(-c3cnn(C(=O)OC(C)(C)C)c3)cn2c1Cl.
What is the InChIKey of methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is RQWJTTJSOVZRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O4/c1-17(2,3)30-16(28)26-8-10(6-23-26)9-5-11(18(20,21)22)14-24-12(15(27)29-4)13(19)25(14)7-9/h5-8H,1-4H3.
What are the key properties of methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 444.80 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 67085092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).