N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;sulfane

C41H55N9O4S — CID 163649569

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

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;sulfane (PubChem CID 163649569) has the molecular formula C41H55N9O4S and a molecular weight of 770.02 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;sulfane.

Molecular Properties

• Compound Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;sulfane
• PubChem CID: 163649569
• Molecular Formula: C41H55N9O4S
• Molecular Weight: 770.02 g/mol
• Exact Mass: 769.41
• IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;sulfane
• SMILES: Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1N1CCCCC1.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1N1CCCCC1.S
• InChI: InChI=1S/C25H31N5O2.C16H22N4O2.H2S/c1-16(2)22-19(24(31)28-20-11-14-32-21-10-6-5-9-18(20)21)15-26-30-23(22)27-17(3)25(30)29-12-7-4-8-13-29;1-10(2)13-12(16(21)22)9-17-20-14(13)18-11(3)15(20)19-7-5-4-6-8-19;/h5-6,9-10,15-16,20H,4,7-8,11-14H2,1-3H3,(H,28,31);9-10H,4-8H2,1-3H3,(H,21,22);1H2/t20-;;/m0../s1
• InChIKey: ILCFSOMYNXBWDP-FJSYBICCSA-N
• XLogP: 7.37
• TPSA: 142.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	770.02
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;sulfane (CID 163649569) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;sulfane.

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

The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;sulfane is Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1N1CCCCC1.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1N1CCCCC1.S.

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

The InChIKey is ILCFSOMYNXBWDP-FJSYBICCSA-N. The full InChI is InChI=1S/C25H31N5O2.C16H22N4O2.H2S/c1-16(2)22-19(24(31)28-20-11-14-32-21-10-6-5-9-18(20)21)15-26-30-23(22)27-17(3)25(30)29-12-7-4-8-13-29;1-10(2)13-12(16(21)22)9-17-20-14(13)18-11(3)15(20)19-7-5-4-6-8-19;/h5-6,9-10,15-16,20H,4,7-8,11-14H2,1-3H3,(H,28,31);9-10H,4-8H2,1-3H3,(H,21,22);1H2/t20-;;/m0../s1.

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

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;sulfane has a molecular weight of 770.02 g/mol, XLogP of 7.37, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;sulfane is sourced from PubChem (CID 163649569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).