N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C19H19F3N6O2 — CID 25258955

IUPACN-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(Nc1cnc2c(c1)NCN2)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F3N6O2/c20-19(21,22)12-1-3-14(4-2-12)27-5-7-28(8-6-27)18(30)17(29)26-13-9-15-16(23-10-13)25-11-24-15/h1-4,9-10,24H,5-8,11H2,(H,23,25)(H,26,29)
InChIKeyCTCHZNUPDHRHIM-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.18
Rot. Bonds2

About N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 25258955) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID25258955
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC NameN-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(Nc1cnc2c(c1)NCN2)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F3N6O2/c20-19(21,22)12-1-3-14(4-2-12)27-5-7-28(8-6-27)18(30)17(29)26-13-9-15-16(23-10-13)25-11-24-15/h1-4,9-10,24H,5-8,11H2,(H,23,25)(H,26,29)
InChIKeyCTCHZNUPDHRHIM-UHFFFAOYSA-N
XLogP2.18
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 25258480
2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108531694
N-(3H-indol-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 58350682
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 58350638
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-yl-2-oxoacetamide
CID 108514130
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108530744
2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 87039943
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892063
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 25258957
2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 58467625
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide
CID 108508662

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 25258955) is N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is O=C(Nc1cnc2c(c1)NCN2)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is CTCHZNUPDHRHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c20-19(21,22)12-1-3-14(4-2-12)27-5-7-28(8-6-27)18(30)17(29)26-13-9-15-16(23-10-13)25-11-24-15/h1-4,9-10,24H,5-8,11H2,(H,23,25)(H,26,29).
What are the key properties of N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 420.40 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 25258955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).