N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C19H15F2N3O2 — CID 90577798

IUPACN-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCC#CCOc1ccc(F)cc1F
InChIInChI=1S/C19H15F2N3O2/c1-13-18(24-10-4-2-6-17(24)23-13)19(25)22-9-3-5-11-26-16-8-7-14(20)12-15(16)21/h2,4,6-8,10,12H,9,11H2,1H3,(H,22,25)
InChIKeyJGRQSIJFGHPLDW-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.73
Rot. Bonds4

About N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90577798) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90577798
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCC#CCOc1ccc(F)cc1F
InChIInChI=1S/C19H15F2N3O2/c1-13-18(24-10-4-2-6-17(24)23-13)19(25)22-9-3-5-11-26-16-8-7-14(20)12-15(16)21/h2,4,6-8,10,12H,9,11H2,1H3,(H,22,25)
InChIKeyJGRQSIJFGHPLDW-UHFFFAOYSA-N
XLogP2.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,4-difluorophenoxy)but-2-ynyl]-3,5-dimethylbenzamide
CID 90577659
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90577594
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 90577595
4-bromo-N-[4-(2,4-difluorophenoxy)but-2-ynyl]benzamide
CID 90577685
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90577778
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90577578
ethyl 2-[4-(2,4-difluorophenoxy)but-2-ynylamino]-2-oxoacetate
CID 90577648
3-cyano-N-[4-(2,4-difluorophenoxy)but-2-ynyl]benzamide
CID 90577816
N-[4-(2-fluorophenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 90574533
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90550161
3-chloro-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
CID 90577651

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90577798) is N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NCC#CCOc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JGRQSIJFGHPLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-13-18(24-10-4-2-6-17(24)23-13)19(25)22-9-3-5-11-26-16-8-7-14(20)12-15(16)21/h2,4,6-8,10,12H,9,11H2,1H3,(H,22,25).
What are the key properties of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90577798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).