2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide

C17H18ClF3N4O2 — CID 141239311

IUPAC2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide
SMILESCCCCCC#Cc1nc2c(Cl)cc(C(F)(F)F)cn2c1NCC(=O)NO
InChIInChI=1S/C17H18ClF3N4O2/c1-2-3-4-5-6-7-13-16(22-9-14(26)24-27)25-10-11(17(19,20)21)8-12(18)15(25)23-13/h8,10,22,27H,2-5,9H2,1H3,(H,24,26)
InChIKeyGLDMUGMPGYDUDK-UHFFFAOYSA-N
MW402.80 g/mol
LogP3.86
Rot. Bonds6

About 2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide

2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide (PubChem CID 141239311) has the molecular formula C17H18ClF3N4O2 and a molecular weight of 402.80 g/mol. Its IUPAC name is 2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide
PubChem CID141239311
Molecular FormulaC17H18ClF3N4O2
Molecular Weight402.80 g/mol
Exact Mass402.11
IUPAC Name2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide
SMILESCCCCCC#Cc1nc2c(Cl)cc(C(F)(F)F)cn2c1NCC(=O)NO
InChIInChI=1S/C17H18ClF3N4O2/c1-2-3-4-5-6-7-13-16(22-9-14(26)24-27)25-10-11(17(19,20)21)8-12(18)15(25)23-13/h8,10,22,27H,2-5,9H2,1H3,(H,24,26)
InChIKeyGLDMUGMPGYDUDK-UHFFFAOYSA-N
XLogP3.86
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.80
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide (CID 141239311) is 2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide is CCCCCC#Cc1nc2c(Cl)cc(C(F)(F)F)cn2c1NCC(=O)NO.
What is the InChIKey of 2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide?
The InChIKey is GLDMUGMPGYDUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O2/c1-2-3-4-5-6-7-13-16(22-9-14(26)24-27)25-10-11(17(19,20)21)8-12(18)15(25)23-13/h8,10,22,27H,2-5,9H2,1H3,(H,24,26).
What are the key properties of 2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide?
2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide has a molecular weight of 402.80 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 141239311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).