2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

C24H21F3N8O2 — CID 158743720

IUPAC2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
SMILESCn1cc(-c2cnn3c(-c4ccc(CC(=O)Nc5cc(C(C)(C)C(F)(F)F)on5)cn4)cnc3c2)cn1
InChIInChI=1S/C24H21F3N8O2/c1-23(2,24(25,26)27)19-8-20(33-37-19)32-22(36)6-14-4-5-17(28-9-14)18-12-29-21-7-15(10-31-35(18)21)16-11-30-34(3)13-16/h4-5,7-13H,6H2,1-3H3,(H,32,33,36)
InChIKeyIMPWCRNIXYINAY-UHFFFAOYSA-N
MW510.48 g/mol
LogP4.20
Rot. Bonds6

About 2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide (PubChem CID 158743720) has the molecular formula C24H21F3N8O2 and a molecular weight of 510.48 g/mol. Its IUPAC name is 2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
PubChem CID158743720
Molecular FormulaC24H21F3N8O2
Molecular Weight510.48 g/mol
Exact Mass510.17
IUPAC Name2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
SMILESCn1cc(-c2cnn3c(-c4ccc(CC(=O)Nc5cc(C(C)(C)C(F)(F)F)on5)cn4)cnc3c2)cn1
InChIInChI=1S/C24H21F3N8O2/c1-23(2,24(25,26)27)19-8-20(33-37-19)32-22(36)6-14-4-5-17(28-9-14)18-12-29-21-7-15(10-31-35(18)21)16-11-30-34(3)13-16/h4-5,7-13H,6H2,1-3H3,(H,32,33,36)
InChIKeyIMPWCRNIXYINAY-UHFFFAOYSA-N
XLogP4.20
TPSA116.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide (CID 158743720) is 2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide is Cn1cc(-c2cnn3c(-c4ccc(CC(=O)Nc5cc(C(C)(C)C(F)(F)F)on5)cn4)cnc3c2)cn1.
What is the InChIKey of 2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is IMPWCRNIXYINAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N8O2/c1-23(2,24(25,26)27)19-8-20(33-37-19)32-22(36)6-14-4-5-17(28-9-14)18-12-29-21-7-15(10-31-35(18)21)16-11-30-34(3)13-16/h4-5,7-13H,6H2,1-3H3,(H,32,33,36).
What are the key properties of 2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide?
2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 510.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 158743720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).