2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide

C23H26N8O4 — CID 146676635

IUPAC2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(OC3=CC=C4NC(NC(=O)NC5COC5)=CN4N3)ccc2C)n(C)n1
InChIInChI=1S/C23H26N8O4/c1-13-4-5-16(9-17(13)25-22(32)18-8-14(2)28-30(18)3)35-21-7-6-20-26-19(10-31(20)29-21)27-23(33)24-15-11-34-12-15/h4-10,15,26,29H,11-12H2,1-3H3,(H,25,32)(H2,24,27,33)
InChIKeyWLEFXTHYOKPVCD-UHFFFAOYSA-N
MW478.51 g/mol
LogP1.27
Rot. Bonds6

About 2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide (PubChem CID 146676635) has the molecular formula C23H26N8O4 and a molecular weight of 478.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide
PubChem CID146676635
Molecular FormulaC23H26N8O4
Molecular Weight478.51 g/mol
Exact Mass478.21
IUPAC Name2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(OC3=CC=C4NC(NC(=O)NC5COC5)=CN4N3)ccc2C)n(C)n1
InChIInChI=1S/C23H26N8O4/c1-13-4-5-16(9-17(13)25-22(32)18-8-14(2)28-30(18)3)35-21-7-6-20-26-19(10-31(20)29-21)27-23(33)24-15-11-34-12-15/h4-10,15,26,29H,11-12H2,1-3H3,(H,25,32)(H2,24,27,33)
InChIKeyWLEFXTHYOKPVCD-UHFFFAOYSA-N
XLogP1.27
TPSA133.81 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 51.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide (CID 146676635) is 2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(OC3=CC=C4NC(NC(=O)NC5COC5)=CN4N3)ccc2C)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The InChIKey is WLEFXTHYOKPVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O4/c1-13-4-5-16(9-17(13)25-22(32)18-8-14(2)28-30(18)3)35-21-7-6-20-26-19(10-31(20)29-21)27-23(33)24-15-11-34-12-15/h4-10,15,26,29H,11-12H2,1-3H3,(H,25,32)(H2,24,27,33).
What are the key properties of 2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide has a molecular weight of 478.51 g/mol, XLogP of 1.27, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-methyl-5-[[2-(oxetan-3-ylcarbamoylamino)-1,5-dihydroimidazo[1,2-b]pyridazin-6-yl]oxy]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146676635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).