2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine

C17H14BrF3N4 — CID 175507893

IUPAC2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine
SMILESFC(F)C(F)(Nc1ccnc(Br)c1)c1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C17H14BrF3N4/c18-14-7-12(5-6-22-14)24-17(21,16(19)20)13-9-25-8-11(10-1-2-10)3-4-15(25)23-13/h3-10,16H,1-2H2,(H,22,24)
InChIKeyZXFROPDVHHCXTA-UHFFFAOYSA-N
MW411.23 g/mol
LogP4.87
Rot. Bonds5

About 2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine

2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine (PubChem CID 175507893) has the molecular formula C17H14BrF3N4 and a molecular weight of 411.23 g/mol. Its IUPAC name is 2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine
PubChem CID175507893
Molecular FormulaC17H14BrF3N4
Molecular Weight411.23 g/mol
Exact Mass410.04
IUPAC Name2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine
SMILESFC(F)C(F)(Nc1ccnc(Br)c1)c1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C17H14BrF3N4/c18-14-7-12(5-6-22-14)24-17(21,16(19)20)13-9-25-8-11(10-1-2-10)3-4-15(25)23-13/h3-10,16H,1-2H2,(H,22,24)
InChIKeyZXFROPDVHHCXTA-UHFFFAOYSA-N
XLogP4.87
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.23
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoroacetamide
CID 151599463
N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 165131574
2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
CID 165132416
2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
CID 165132137
2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine
CID 165132464
7-bromo-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydropyrido[3,4-b][1,4]oxazine
CID 165131598
4-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylic acid
CID 175507913
2-bromo-N-cyclopentylpyridin-4-amine
CID 131003214
1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165131728
2-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 121206446
2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine
CID 165131712
4-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-6-methoxypyridine-2,4-diamine
CID 165133240

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine?
The IUPAC name of 2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine (CID 175507893) is 2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine.
What is the SMILES notation for 2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine?
The canonical SMILES for 2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine is FC(F)C(F)(Nc1ccnc(Br)c1)c1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of 2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine?
The InChIKey is ZXFROPDVHHCXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N4/c18-14-7-12(5-6-22-14)24-17(21,16(19)20)13-9-25-8-11(10-1-2-10)3-4-15(25)23-13/h3-10,16H,1-2H2,(H,22,24).
What are the key properties of 2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine?
2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine has a molecular weight of 411.23 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-1,2,2-trifluoroethyl]pyridin-4-amine is sourced from PubChem (CID 175507893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).