1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one

C17H14ClF6N5O2 — CID 130281683

IUPAC1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one
SMILESO=C1NN(C(=O)c2nc3c(C(F)(F)F)cc(C4CC4)cn3c2Cl)CCN1CC(F)(F)F
InChIInChI=1S/C17H14ClF6N5O2/c18-12-11(14(30)29-4-3-27(15(31)26-29)7-16(19,20)21)25-13-10(17(22,23)24)5-9(6-28(12)13)8-1-2-8/h5-6,8H,1-4,7H2,(H,26,31)
InChIKeyJZUBJQGVJQPMDQ-UHFFFAOYSA-N
MW469.77 g/mol
LogP3.83
Rot. Bonds3

About 1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one

1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one (PubChem CID 130281683) has the molecular formula C17H14ClF6N5O2 and a molecular weight of 469.77 g/mol. Its IUPAC name is 1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one
PubChem CID130281683
Molecular FormulaC17H14ClF6N5O2
Molecular Weight469.77 g/mol
Exact Mass469.07
IUPAC Name1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one
SMILESO=C1NN(C(=O)c2nc3c(C(F)(F)F)cc(C4CC4)cn3c2Cl)CCN1CC(F)(F)F
InChIInChI=1S/C17H14ClF6N5O2/c18-12-11(14(30)29-4-3-27(15(31)26-29)7-16(19,20)21)25-13-10(17(22,23)24)5-9(6-28(12)13)8-1-2-8/h5-6,8H,1-4,7H2,(H,26,31)
InChIKeyJZUBJQGVJQPMDQ-UHFFFAOYSA-N
XLogP3.83
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one with MolForge

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Related Compounds

4-tert-butyl-1-[3-chloro-6-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1,2,4-triazinan-3-one
CID 130355893
4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one
CID 123998541
4-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-oxobutyl]piperazin-2-one
CID 67084971
4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one
CID 51356170
2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile
CID 67084830
3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde
CID 162601643
(4S,5R)-9-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-hydroxy-9-aza-6-azoniadispiro[4.0.56.15]dodecan-7-one
CID 162601656
3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 67085065
4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one
CID 51354205
2-acetyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 143763062
(3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 68729034
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 59443786

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one?
The IUPAC name of 1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one (CID 130281683) is 1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one.
What is the SMILES notation for 1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one?
The canonical SMILES for 1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one is O=C1NN(C(=O)c2nc3c(C(F)(F)F)cc(C4CC4)cn3c2Cl)CCN1CC(F)(F)F.
What is the InChIKey of 1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one?
The InChIKey is JZUBJQGVJQPMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF6N5O2/c18-12-11(14(30)29-4-3-27(15(31)26-29)7-16(19,20)21)25-13-10(17(22,23)24)5-9(6-28(12)13)8-1-2-8/h5-6,8H,1-4,7H2,(H,26,31).
What are the key properties of 1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one?
1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one has a molecular weight of 469.77 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazinan-3-one is sourced from PubChem (CID 130281683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).