3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide

C26H21Cl2FN4O2 — CID 171439798

About 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide

3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 171439798) has the molecular formula C26H21Cl2FN4O2 and a molecular weight of 511.38 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
• PubChem CID: 171439798
• Molecular Formula: C26H21Cl2FN4O2
• Molecular Weight: 511.38 g/mol
• Exact Mass: 510.10
• IUPAC Name: 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
• SMILES: C=C(C)c1c(C(=O)N[C@H]2CCOc3ccc(F)cc32)cnn2c(-c3cc(Cl)cc(Cl)c3)c(C)nc12
• InChI: InChI=1S/C26H21Cl2FN4O2/c1-13(2)23-20(26(34)32-21-6-7-35-22-5-4-18(29)11-19(21)22)12-30-33-24(14(3)31-25(23)33)15-8-16(27)10-17(28)9-15/h4-5,8-12,21H,1,6-7H2,2-3H3,(H,32,34)/t21-/m0/s1
• InChIKey: IZOFRRPPGXTRNK-NRFANRHFSA-N
• XLogP: 6.44
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.38
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?

The IUPAC name of 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide (CID 171439798) is 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide.

What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?

The canonical SMILES for 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide is C=C(C)c1c(C(=O)N[C@H]2CCOc3ccc(F)cc32)cnn2c(-c3cc(Cl)cc(Cl)c3)c(C)nc12.

What is the InChIKey of 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?

The InChIKey is IZOFRRPPGXTRNK-NRFANRHFSA-N. The full InChI is InChI=1S/C26H21Cl2FN4O2/c1-13(2)23-20(26(34)32-21-6-7-35-22-5-4-18(29)11-19(21)22)12-30-33-24(14(3)31-25(23)33)15-8-16(27)10-17(28)9-15/h4-5,8-12,21H,1,6-7H2,2-3H3,(H,32,34)/t21-/m0/s1.

What are the key properties of 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide?

3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 511.38 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 171439798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).