6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid

C54H54F6N10O9 — CID 158902847

About 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid

6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 158902847) has the molecular formula C54H54F6N10O9 and a molecular weight of 1101.07 g/mol. Its IUPAC name is 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
• PubChem CID: 158902847
• Molecular Formula: C54H54F6N10O9
• Molecular Weight: 1101.07 g/mol
• Exact Mass: 1100.40
• IUPAC Name: 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
• SMILES: CC1(C)OC[C@H](COc2cccc(N)n2)O1.Cc1c(-c2ccccc2C(F)(F)F)nn2c(C(=O)Nc3cccc(OC[C@H]4COC(C)(C)O4)n3)cnc2c1C.Cc1c(-c2ccccc2C(F)(F)F)nn2c(C(=O)O)cnc2c1C
• InChI: InChI=1S/C27H26F3N5O4.C16H12F3N3O2.C11H16N2O3/c1-15-16(2)24-31-12-20(35(24)34-23(15)18-8-5-6-9-19(18)27(28,29)30)25(36)33-21-10-7-11-22(32-21)37-13-17-14-38-26(3,4)39-17;1-8-9(2)14-20-7-12(15(23)24)22(14)21-13(8)10-5-3-4-6-11(10)16(17,18)19;1-11(2)15-7-8(16-11)6-14-10-5-3-4-9(12)13-10/h5-12,17H,13-14H2,1-4H3,(H,32,33,36);3-7H,1-2H3,(H,23,24);3-5,8H,6-7H2,1-2H3,(H2,12,13)/t17-;;8-/m0.0/s1
• InChIKey: JFQZEVRNDKGDNI-NCNXKEBISA-N
• XLogP: 10.13
• TPSA: 233.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1101.07
LogP ≤ 5	10.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?

The IUPAC name of 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid (CID 158902847) is 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid.

What is the SMILES notation for 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?

The canonical SMILES for 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid is CC1(C)OC[C@H](COc2cccc(N)n2)O1.Cc1c(-c2ccccc2C(F)(F)F)nn2c(C(=O)Nc3cccc(OC[C@H]4COC(C)(C)O4)n3)cnc2c1C.Cc1c(-c2ccccc2C(F)(F)F)nn2c(C(=O)O)cnc2c1C.

What is the InChIKey of 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?

The InChIKey is JFQZEVRNDKGDNI-NCNXKEBISA-N. The full InChI is InChI=1S/C27H26F3N5O4.C16H12F3N3O2.C11H16N2O3/c1-15-16(2)24-31-12-20(35(24)34-23(15)18-8-5-6-9-19(18)27(28,29)30)25(36)33-21-10-7-11-22(32-21)37-13-17-14-38-26(3,4)39-17;1-8-9(2)14-20-7-12(15(23)24)22(14)21-13(8)10-5-3-4-6-11(10)16(17,18)19;1-11(2)15-7-8(16-11)6-14-10-5-3-4-9(12)13-10/h5-12,17H,13-14H2,1-4H3,(H,32,33,36);3-7H,1-2H3,(H,23,24);3-5,8H,6-7H2,1-2H3,(H2,12,13)/t17-;;8-/m0.0/s1.

What are the key properties of 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?

6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 1101.07 g/mol, XLogP of 10.13, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridin-2-amine;N-[6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 158902847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).