N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide

C26H28FN7O3 — CID 67261819

IUPACN-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cn1)Nc1cccc(F)c1
InChIInChI=1S/C26H28FN7O3/c27-19-3-1-4-20(13-19)31-25(35)17-34-16-21(15-30-34)32-26-23-6-5-22(14-24(23)28-18-29-26)37-10-2-7-33-8-11-36-12-9-33/h1,3-6,13-16,18H,2,7-12,17H2,(H,31,35)(H,28,29,32)
InChIKeyAZYAEYHGDXJBMV-UHFFFAOYSA-N
MW505.55 g/mol
LogP3.45
Rot. Bonds10

About N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide (PubChem CID 67261819) has the molecular formula C26H28FN7O3 and a molecular weight of 505.55 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
PubChem CID67261819
Molecular FormulaC26H28FN7O3
Molecular Weight505.55 g/mol
Exact Mass505.22
IUPAC NameN-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cn1)Nc1cccc(F)c1
InChIInChI=1S/C26H28FN7O3/c27-19-3-1-4-20(13-19)31-25(35)17-34-16-21(15-30-34)32-26-23-6-5-22(14-24(23)28-18-29-26)37-10-2-7-33-8-11-36-12-9-33/h1,3-6,13-16,18H,2,7-12,17H2,(H,31,35)(H,28,29,32)
InChIKeyAZYAEYHGDXJBMV-UHFFFAOYSA-N
XLogP3.45
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide (CID 67261819) is N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide is O=C(Cn1cc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cn1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
The InChIKey is AZYAEYHGDXJBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O3/c27-19-3-1-4-20(13-19)31-25(35)17-34-16-21(15-30-34)32-26-23-6-5-22(14-24(23)28-18-29-26)37-10-2-7-33-8-11-36-12-9-33/h1,3-6,13-16,18H,2,7-12,17H2,(H,31,35)(H,28,29,32).
What are the key properties of N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide has a molecular weight of 505.55 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 67261819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).