N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide

C21H25N5O3S — CID 66695610

IUPACN-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCC(C)CNc1cc(S(C)(=O)=O)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C21H25N5O3S/c1-13(2)11-22-17-10-19(30(3,28)29)25-26-18(12-23-20(17)26)14-4-6-15(7-5-14)21(27)24-16-8-9-16/h4-7,10,12-13,16,22H,8-9,11H2,1-3H3,(H,24,27)
InChIKeyNBOSOSLGMGQVTG-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.76
Rot. Bonds7

About N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide

N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 66695610) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID66695610
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCC(C)CNc1cc(S(C)(=O)=O)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C21H25N5O3S/c1-13(2)11-22-17-10-19(30(3,28)29)25-26-18(12-23-20(17)26)14-4-6-15(7-5-14)21(27)24-16-8-9-16/h4-7,10,12-13,16,22H,8-9,11H2,1-3H3,(H,24,27)
InChIKeyNBOSOSLGMGQVTG-UHFFFAOYSA-N
XLogP2.76
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide (CID 66695610) is N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide is CC(C)CNc1cc(S(C)(=O)=O)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is NBOSOSLGMGQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-13(2)11-22-17-10-19(30(3,28)29)25-26-18(12-23-20(17)26)14-4-6-15(7-5-14)21(27)24-16-8-9-16/h4-7,10,12-13,16,22H,8-9,11H2,1-3H3,(H,24,27).
What are the key properties of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 427.53 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfonylimidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 66695610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).