N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide

C21H18F3N7O2 — CID 59613289

IUPACN-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1=O
InChIInChI=1S/C21H18F3N7O2/c1-12(32)26-6-7-30-11-13(2-5-19(30)33)16-3-4-18-27-10-17(31(18)29-16)14-8-15(21(22,23)24)20(25)28-9-14/h2-5,8-11H,6-7H2,1H3,(H2,25,28)(H,26,32)
InChIKeySCFLAADUMAGDAP-UHFFFAOYSA-N
MW457.42 g/mol
LogP2.36
Rot. Bonds5

About N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide

N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide (PubChem CID 59613289) has the molecular formula C21H18F3N7O2 and a molecular weight of 457.42 g/mol. Its IUPAC name is N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide
PubChem CID59613289
Molecular FormulaC21H18F3N7O2
Molecular Weight457.42 g/mol
Exact Mass457.15
IUPAC NameN-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1=O
InChIInChI=1S/C21H18F3N7O2/c1-12(32)26-6-7-30-11-13(2-5-19(30)33)16-3-4-18-27-10-17(31(18)29-16)14-8-15(21(22,23)24)20(25)28-9-14/h2-5,8-11H,6-7H2,1H3,(H2,25,28)(H,26,32)
InChIKeySCFLAADUMAGDAP-UHFFFAOYSA-N
XLogP2.36
TPSA120.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide (CID 59613289) is N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide is CC(=O)NCCn1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1=O.
What is the InChIKey of N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide?
The InChIKey is SCFLAADUMAGDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O2/c1-12(32)26-6-7-30-11-13(2-5-19(30)33)16-3-4-18-27-10-17(31(18)29-16)14-8-15(21(22,23)24)20(25)28-9-14/h2-5,8-11H,6-7H2,1H3,(H2,25,28)(H,26,32).
What are the key properties of N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide?
N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide has a molecular weight of 457.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-oxo-1-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 59613289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).