3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide

C27H24Cl2FN5O3 — CID 171439802

About 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide

3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 171439802) has the molecular formula C27H24Cl2FN5O3 and a molecular weight of 556.43 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide
• PubChem CID: 171439802
• Molecular Formula: C27H24Cl2FN5O3
• Molecular Weight: 556.43 g/mol
• Exact Mass: 555.12
• IUPAC Name: 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide
• SMILES: Cc1nc2c(N3CCOCC3)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1-c1c(Cl)cc(F)cc1Cl
• InChI: InChI=1S/C27H24Cl2FN5O3/c1-15-24(23-19(28)12-16(30)13-20(23)29)35-26(32-15)25(34-7-10-37-11-8-34)18(14-31-35)27(36)33-21-6-9-38-22-5-3-2-4-17(21)22/h2-5,12-14,21H,6-11H2,1H3,(H,33,36)/t21-/m0/s1
• InChIKey: PXOLQCCJWDXCLK-NRFANRHFSA-N
• XLogP: 5.24
• TPSA: 80.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.43
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?

The IUPAC name of 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide (CID 171439802) is 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide.

What is the SMILES notation for 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?

The canonical SMILES for 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide is Cc1nc2c(N3CCOCC3)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1-c1c(Cl)cc(F)cc1Cl.

What is the InChIKey of 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?

The InChIKey is PXOLQCCJWDXCLK-NRFANRHFSA-N. The full InChI is InChI=1S/C27H24Cl2FN5O3/c1-15-24(23-19(28)12-16(30)13-20(23)29)35-26(32-15)25(34-7-10-37-11-8-34)18(14-31-35)27(36)33-21-6-9-38-22-5-3-2-4-17(21)22/h2-5,12-14,21H,6-11H2,1H3,(H,33,36)/t21-/m0/s1.

What are the key properties of 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide?

3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 556.43 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 171439802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).