4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide

C27H29N5O3S — CID 66695632

IUPAC4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCC(C)C)cc(S(=O)(=O)c4ccccc4)nn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H29N5O3S/c1-17(2)15-28-23-14-25(36(34,35)21-7-5-4-6-8-21)31-32-24(16-29-26(23)32)19-9-12-22(18(3)13-19)27(33)30-20-10-11-20/h4-9,12-14,16-17,20,28H,10-11,15H2,1-3H3,(H,30,33)
InChIKeyOSOBOKHEPJHWGU-UHFFFAOYSA-N
MW503.63 g/mol
LogP4.50
Rot. Bonds8

About 4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide

4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide (PubChem CID 66695632) has the molecular formula C27H29N5O3S and a molecular weight of 503.63 g/mol. Its IUPAC name is 4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide.

Molecular Properties

Compound Name4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
PubChem CID66695632
Molecular FormulaC27H29N5O3S
Molecular Weight503.63 g/mol
Exact Mass503.20
IUPAC Name4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCC(C)C)cc(S(=O)(=O)c4ccccc4)nn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H29N5O3S/c1-17(2)15-28-23-14-25(36(34,35)21-7-5-4-6-8-21)31-32-24(16-29-26(23)32)19-9-12-22(18(3)13-19)27(33)30-20-10-11-20/h4-9,12-14,16-17,20,28H,10-11,15H2,1-3H3,(H,30,33)
InChIKeyOSOBOKHEPJHWGU-UHFFFAOYSA-N
XLogP4.50
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The IUPAC name of 4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide (CID 66695632) is 4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide.
What is the SMILES notation for 4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The canonical SMILES for 4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide is Cc1cc(-c2cnc3c(NCC(C)C)cc(S(=O)(=O)c4ccccc4)nn23)ccc1C(=O)NC1CC1.
What is the InChIKey of 4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The InChIKey is OSOBOKHEPJHWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3S/c1-17(2)15-28-23-14-25(36(34,35)21-7-5-4-6-8-21)31-32-24(16-29-26(23)32)19-9-12-22(18(3)13-19)27(33)30-20-10-11-20/h4-9,12-14,16-17,20,28H,10-11,15H2,1-3H3,(H,30,33).
What are the key properties of 4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide has a molecular weight of 503.63 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(benzenesulfonyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide is sourced from PubChem (CID 66695632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).