6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C23H21F3N6O4 — CID 117077601

IUPAC6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(CNC(=O)c2c(C)nc3ccc(-c4ccnc(N)n4)cn23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H20N6O2.C2HF3O2/c1-13-19(20(28)24-11-14-4-3-5-16(10-14)29-2)27-12-15(6-7-18(27)25-13)17-8-9-23-21(22)26-17;3-2(4,5)1(6)7/h3-10,12H,11H2,1-2H3,(H,24,28)(H2,22,23,26);(H,6,7)
InChIKeyFWSUXNURPNJWSE-UHFFFAOYSA-N
MW502.45 g/mol
LogP3.25
Rot. Bonds5

About 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117077601) has the molecular formula C23H21F3N6O4 and a molecular weight of 502.45 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID117077601
Molecular FormulaC23H21F3N6O4
Molecular Weight502.45 g/mol
Exact Mass502.16
IUPAC Name6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(CNC(=O)c2c(C)nc3ccc(-c4ccnc(N)n4)cn23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H20N6O2.C2HF3O2/c1-13-19(20(28)24-11-14-4-3-5-16(10-14)29-2)27-12-15(6-7-18(27)25-13)17-8-9-23-21(22)26-17;3-2(4,5)1(6)7/h3-10,12H,11H2,1-2H3,(H,24,28)(H2,22,23,26);(H,6,7)
InChIKeyFWSUXNURPNJWSE-UHFFFAOYSA-N
XLogP3.25
TPSA144.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.45
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic 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-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 117077601) is 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is COc1cccc(CNC(=O)c2c(C)nc3ccc(-c4ccnc(N)n4)cn23)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FWSUXNURPNJWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2.C2HF3O2/c1-13-19(20(28)24-11-14-4-3-5-16(10-14)29-2)27-12-15(6-7-18(27)25-13)17-8-9-23-21(22)26-17;3-2(4,5)1(6)7/h3-10,12H,11H2,1-2H3,(H,24,28)(H2,22,23,26);(H,6,7).
What are the key properties of 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 502.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117077601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).