2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

C25H27F3N4O4 — CID 166277768

IUPAC2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCc1cn2c(n1)CC(C(=O)Nc1cccn(Cc3ccc(C)cc3)c1=O)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C23H26N4O2.C2HF3O2/c1-3-19-15-26-12-10-18(13-21(26)24-19)22(28)25-20-5-4-11-27(23(20)29)14-17-8-6-16(2)7-9-17;3-2(4,5)1(6)7/h4-9,11,15,18H,3,10,12-14H2,1-2H3,(H,25,28);(H,6,7)
InChIKeySVCPZNMDMVRKMD-UHFFFAOYSA-N
MW504.51 g/mol
LogP3.80
Rot. Bonds5

About 2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166277768) has the molecular formula C25H27F3N4O4 and a molecular weight of 504.51 g/mol. Its IUPAC name is 2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166277768
Molecular FormulaC25H27F3N4O4
Molecular Weight504.51 g/mol
Exact Mass504.20
IUPAC Name2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCc1cn2c(n1)CC(C(=O)Nc1cccn(Cc3ccc(C)cc3)c1=O)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C23H26N4O2.C2HF3O2/c1-3-19-15-26-12-10-18(13-21(26)24-19)22(28)25-20-5-4-11-27(23(20)29)14-17-8-6-16(2)7-9-17;3-2(4,5)1(6)7/h4-9,11,15,18H,3,10,12-14H2,1-2H3,(H,25,28);(H,6,7)
InChIKeySVCPZNMDMVRKMD-UHFFFAOYSA-N
XLogP3.80
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

cis-(1S,3R)-2,2-dimethyl-3-[[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066426
4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide
CID 154843849
N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119811093
(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637273
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
CID 75432089
1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086570
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide
CID 71910292
9-amino-N-(1-benzyl-2-oxo-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992316
2-(cyclopropylmethylamino)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811074
N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 50781388
N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide
CID 167814290
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide
CID 138993121

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 166277768) is 2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is CCc1cn2c(n1)CC(C(=O)Nc1cccn(Cc3ccc(C)cc3)c1=O)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SVCPZNMDMVRKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.C2HF3O2/c1-3-19-15-26-12-10-18(13-21(26)24-19)22(28)25-20-5-4-11-27(23(20)29)14-17-8-6-16(2)7-9-17;3-2(4,5)1(6)7/h4-9,11,15,18H,3,10,12-14H2,1-2H3,(H,25,28);(H,6,7).
What are the key properties of 2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 504.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166277768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).