N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

C24H24F3N7O2 — CID 66692256

IUPACN-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCOc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCCC(F)(F)F)cc(-c3ccnn3C)nn12
InChIInChI=1S/C24H24F3N7O2/c1-33-19(7-9-30-33)17-12-18(28-10-8-24(25,26)27)22-29-13-20(34(22)32-17)16-6-3-14(11-21(16)36-2)23(35)31-15-4-5-15/h3,6-7,9,11-13,15,28H,4-5,8,10H2,1-2H3,(H,31,35)
InChIKeyVTSMZDCBCYFERV-UHFFFAOYSA-N
MW499.50 g/mol
LogP4.06
Rot. Bonds8

About N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 66692256) has the molecular formula C24H24F3N7O2 and a molecular weight of 499.50 g/mol. Its IUPAC name is N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID66692256
Molecular FormulaC24H24F3N7O2
Molecular Weight499.50 g/mol
Exact Mass499.19
IUPAC NameN-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCOc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCCC(F)(F)F)cc(-c3ccnn3C)nn12
InChIInChI=1S/C24H24F3N7O2/c1-33-19(7-9-30-33)17-12-18(28-10-8-24(25,26)27)22-29-13-20(34(22)32-17)16-6-3-14(11-21(16)36-2)23(35)31-15-4-5-15/h3,6-7,9,11-13,15,28H,4-5,8,10H2,1-2H3,(H,31,35)
InChIKeyVTSMZDCBCYFERV-UHFFFAOYSA-N
XLogP4.06
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 66692256) is N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is COc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCCC(F)(F)F)cc(-c3ccnn3C)nn12.
What is the InChIKey of N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is VTSMZDCBCYFERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O2/c1-33-19(7-9-30-33)17-12-18(28-10-8-24(25,26)27)22-29-13-20(34(22)32-17)16-6-3-14(11-21(16)36-2)23(35)31-15-4-5-15/h3,6-7,9,11-13,15,28H,4-5,8,10H2,1-2H3,(H,31,35).
What are the key properties of N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 499.50 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methoxy-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 66692256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).