ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate

C21H16F3N5O2 — CID 142199181

IUPACethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2c(-c3ccnc(N)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C21H16F3N5O2/c1-2-31-19(30)13-7-9-29-16(11-13)28-17(18(29)15-6-8-26-20(25)27-15)12-4-3-5-14(10-12)21(22,23)24/h3-11H,2H2,1H3,(H2,25,26,27)
InChIKeyFSPXFMFSHUJPPC-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.24
Rot. Bonds4

About ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate

ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 142199181) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID142199181
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Nameethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2c(-c3ccnc(N)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C21H16F3N5O2/c1-2-31-19(30)13-7-9-29-16(11-13)28-17(18(29)15-6-8-26-20(25)27-15)12-4-3-5-14(10-12)21(22,23)24/h3-11H,2H2,1H3,(H2,25,26,27)
InChIKeyFSPXFMFSHUJPPC-UHFFFAOYSA-N
XLogP4.24
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate (CID 142199181) is ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate is CCOC(=O)c1ccn2c(-c3ccnc(N)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1.
What is the InChIKey of ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is FSPXFMFSHUJPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-2-31-19(30)13-7-9-29-16(11-13)28-17(18(29)15-6-8-26-20(25)27-15)12-4-3-5-14(10-12)21(22,23)24/h3-11H,2H2,1H3,(H2,25,26,27).
What are the key properties of ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate?
ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 427.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-aminopyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 142199181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).