3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane

C52H50F4N8O5S2 — CID 163749661

About 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane

3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane (PubChem CID 163749661) has the molecular formula C52H50F4N8O5S2 and a molecular weight of 1007.15 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane.

Molecular Properties

• Compound Name: 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane
• PubChem CID: 163749661
• Molecular Formula: C52H50F4N8O5S2
• Molecular Weight: 1007.15 g/mol
• Exact Mass: 1006.33
• IUPAC Name: 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane
• SMILES: C=C(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(F)cc(F)c3)c(C)nc12.C=C(C)c1c(C(=O)O)cnn2c(-c3cc(F)cc(F)c3)c(C)nc12.N[C@H]1CCOc2ccccc21.S.S
• InChI: InChI=1S/C26H22F2N4O2.C17H13F2N3O2.C9H11NO.2H2S/c1-14(2)23-20(26(33)31-21-8-9-34-22-7-5-4-6-19(21)22)13-29-32-24(15(3)30-25(23)32)16-10-17(27)12-18(28)11-16;1-8(2)14-13(17(23)24)7-20-22-15(9(3)21-16(14)22)10-4-11(18)6-12(19)5-10;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h4-7,10-13,21H,1,8-9H2,2-3H3,(H,31,33);4-7H,1H2,2-3H3,(H,23,24);1-4,8H,5-6,10H2;2*1H2/t21-;;8-;;/m0.0../s1
• InChIKey: LOXKHIKXAKGQKL-TXRYEIFUSA-N
• XLogP: 10.68
• TPSA: 171.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.15
LogP ≤ 5	10.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?

The IUPAC name of 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane (CID 163749661) is 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane.

What is the SMILES notation for 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?

The canonical SMILES for 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane is C=C(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(F)cc(F)c3)c(C)nc12.C=C(C)c1c(C(=O)O)cnn2c(-c3cc(F)cc(F)c3)c(C)nc12.N[C@H]1CCOc2ccccc21.S.S.

What is the InChIKey of 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?

The InChIKey is LOXKHIKXAKGQKL-TXRYEIFUSA-N. The full InChI is InChI=1S/C26H22F2N4O2.C17H13F2N3O2.C9H11NO.2H2S/c1-14(2)23-20(26(33)31-21-8-9-34-22-7-5-4-6-19(21)22)13-29-32-24(15(3)30-25(23)32)16-10-17(27)12-18(28)11-16;1-8(2)14-13(17(23)24)7-20-22-15(9(3)21-16(14)22)10-4-11(18)6-12(19)5-10;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h4-7,10-13,21H,1,8-9H2,2-3H3,(H,31,33);4-7H,1H2,2-3H3,(H,23,24);1-4,8H,5-6,10H2;2*1H2/t21-;;8-;;/m0.0../s1.

What are the key properties of 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?

3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane has a molecular weight of 1007.15 g/mol, XLogP of 10.68, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-difluorophenyl)-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane is sourced from PubChem (CID 163749661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).