5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide

C19H15BrF3N5O — CID 171531793

IUPAC5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NCC#Cc2nc3c(Br)cccn3c2CC(F)(F)F)cn1
InChIInChI=1S/C19H15BrF3N5O/c1-24-18(29)15-7-6-12(11-26-15)25-8-2-5-14-16(10-19(21,22)23)28-9-3-4-13(20)17(28)27-14/h3-4,6-7,9,11,25H,8,10H2,1H3,(H,24,29)
InChIKeyYUQUTAALVWINNN-UHFFFAOYSA-N
MW466.26 g/mol
LogP3.42
Rot. Bonds4

About 5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide

5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide (PubChem CID 171531793) has the molecular formula C19H15BrF3N5O and a molecular weight of 466.26 g/mol. Its IUPAC name is 5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide
PubChem CID171531793
Molecular FormulaC19H15BrF3N5O
Molecular Weight466.26 g/mol
Exact Mass465.04
IUPAC Name5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NCC#Cc2nc3c(Br)cccn3c2CC(F)(F)F)cn1
InChIInChI=1S/C19H15BrF3N5O/c1-24-18(29)15-7-6-12(11-26-15)25-8-2-5-14-16(10-19(21,22)23)28-9-3-4-13(20)17(28)27-14/h3-4,6-7,9,11,25H,8,10H2,1H3,(H,24,29)
InChIKeyYUQUTAALVWINNN-UHFFFAOYSA-N
XLogP3.42
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide (CID 171531793) is 5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NCC#Cc2nc3c(Br)cccn3c2CC(F)(F)F)cn1.
What is the InChIKey of 5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is YUQUTAALVWINNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF3N5O/c1-24-18(29)15-7-6-12(11-26-15)25-8-2-5-14-16(10-19(21,22)23)28-9-3-4-13(20)17(28)27-14/h3-4,6-7,9,11,25H,8,10H2,1H3,(H,24,29).
What are the key properties of 5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide?
5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 466.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171531793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).