2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

C23H20F3N5O2 — CID 25242540

IUPAC2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(-c2cnn3ncccc23)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C23H20F3N5O2/c1-15(20-9-8-18(12-27-20)33-14-23(24,25)26)30-22(32)11-16-4-6-17(7-5-16)19-13-29-31-21(19)3-2-10-28-31/h2-10,12-13,15H,11,14H2,1H3,(H,30,32)/t15-/m1/s1
InChIKeyDUFFIOALCYNCEY-OAHLLOKOSA-N
MW455.44 g/mol
LogP4.15
Rot. Bonds7

About 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (PubChem CID 25242540) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
PubChem CID25242540
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(-c2cnn3ncccc23)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C23H20F3N5O2/c1-15(20-9-8-18(12-27-20)33-14-23(24,25)26)30-22(32)11-16-4-6-17(7-5-16)19-13-29-31-21(19)3-2-10-28-31/h2-10,12-13,15H,11,14H2,1H3,(H,30,32)/t15-/m1/s1
InChIKeyDUFFIOALCYNCEY-OAHLLOKOSA-N
XLogP4.15
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (CID 25242540) is 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is C[C@@H](NC(=O)Cc1ccc(-c2cnn3ncccc23)cc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The InChIKey is DUFFIOALCYNCEY-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-15(20-9-8-18(12-27-20)33-14-23(24,25)26)30-22(32)11-16-4-6-17(7-5-16)19-13-29-31-21(19)3-2-10-28-31/h2-10,12-13,15H,11,14H2,1H3,(H,30,32)/t15-/m1/s1.
What are the key properties of 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide has a molecular weight of 455.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 25242540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).