8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide

C26H25Cl2N5O2 — CID 162494454

About 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide

8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 162494454) has the molecular formula C26H25Cl2N5O2 and a molecular weight of 510.43 g/mol. Its IUPAC name is 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide
• PubChem CID: 162494454
• Molecular Formula: C26H25Cl2N5O2
• Molecular Weight: 510.43 g/mol
• Exact Mass: 509.14
• IUPAC Name: 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide
• SMILES: Cc1nc2c(C(C)(C)C)c(C(=O)NN3CCOc4ccccc43)cnn2c1-c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C26H25Cl2N5O2/c1-15-23(16-11-17(27)13-18(28)12-16)33-24(30-15)22(26(2,3)4)19(14-29-33)25(34)31-32-9-10-35-21-8-6-5-7-20(21)32/h5-8,11-14H,9-10H2,1-4H3,(H,31,34)
• InChIKey: KPLIXNKKCBSAPT-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.43
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide?

The IUPAC name of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide (CID 162494454) is 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide.

What is the SMILES notation for 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide?

The canonical SMILES for 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide is Cc1nc2c(C(C)(C)C)c(C(=O)NN3CCOc4ccccc43)cnn2c1-c1cc(Cl)cc(Cl)c1.

What is the InChIKey of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide?

The InChIKey is KPLIXNKKCBSAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O2/c1-15-23(16-11-17(27)13-18(28)12-16)33-24(30-15)22(26(2,3)4)19(14-29-33)25(34)31-32-9-10-35-21-8-6-5-7-20(21)32/h5-8,11-14H,9-10H2,1-4H3,(H,31,34).

What are the key properties of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide?

8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 510.43 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 162494454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).