N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide

C26H20N6O2 — CID 170109098

IUPACN-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide
SMILESCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc5ccnn5c4)c(C)c3)c2c1
InChIInChI=1S/C26H20N6O2/c1-3-4-25(33)30-19-5-9-23-22(14-19)26(28-16-27-23)31-18-6-10-24(17(2)13-18)34-21-8-7-20-11-12-29-32(20)15-21/h5-16H,1-2H3,(H,30,33)(H,27,28,31)
InChIKeyXUSFRXIRAMOLNG-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.08
Rot. Bonds5

About N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide

N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide (PubChem CID 170109098) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide.

Molecular Properties

Compound NameN-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide
PubChem CID170109098
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC NameN-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide
SMILESCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc5ccnn5c4)c(C)c3)c2c1
InChIInChI=1S/C26H20N6O2/c1-3-4-25(33)30-19-5-9-23-22(14-19)26(28-16-27-23)31-18-6-10-24(17(2)13-18)34-21-8-7-20-11-12-29-32(20)15-21/h5-16H,1-2H3,(H,30,33)(H,27,28,31)
InChIKeyXUSFRXIRAMOLNG-UHFFFAOYSA-N
XLogP5.08
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide with MolForge

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Related Compounds

N-[4-[3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)oxy]anilino]quinazolin-6-yl]but-2-ynamide
CID 162431941
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]but-2-ynamide
CID 162431474
3-(1-methylcyclopropyl)-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]prop-2-ynamide
CID 162431714
disodium;[5-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]amino]-5-oxopent-3-ynyl] phosphate
CID 162431506
N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide
CID 162432035
5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide
CID 162431814
6-iodophosphanyloxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]hex-2-ynamide
CID 162431971
4-(dimethylamino)-N-[4-[3-methyl-4-[(1-methyl-2-methylidene-4-pyridinyl)oxy]anilino]quinazolin-6-yl]but-2-ynamide
CID 170109140
3-[[6-(but-2-ynoylamino)quinazolin-4-yl]amino]-N-pyridin-2-ylbenzamide
CID 121273488
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide
CID 88975129
N-[4-[3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enamide
CID 154981126
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-2-propylpentanamide
CID 71196517

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide?
The IUPAC name of N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide (CID 170109098) is N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide.
What is the SMILES notation for N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide?
The canonical SMILES for N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide is CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc5ccnn5c4)c(C)c3)c2c1.
What is the InChIKey of N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide?
The InChIKey is XUSFRXIRAMOLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c1-3-4-25(33)30-19-5-9-23-22(14-19)26(28-16-27-23)31-18-6-10-24(17(2)13-18)34-21-8-7-20-11-12-29-32(20)15-21/h5-16H,1-2H3,(H,30,33)(H,27,28,31).
What are the key properties of N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide?
N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide has a molecular weight of 448.49 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyanilino)quinazolin-6-yl]but-2-ynamide is sourced from PubChem (CID 170109098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).