(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile

C105H106F15N39O8S2 — CID 158067502

About (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile

(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile (PubChem CID 158067502) has the molecular formula C105H106F15N39O8S2 and a molecular weight of 2391.37 g/mol. Its IUPAC name is (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile.

Molecular Properties

• Compound Name: (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile
• PubChem CID: 158067502
• Molecular Formula: C105H106F15N39O8S2
• Molecular Weight: 2391.37 g/mol
• Exact Mass: 2389.83
• IUPAC Name: (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile
• SMILES: CS(C)(=O)=NC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(C)(=O)=N[C@H]1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.N#CCC1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.O=C(O)[C@H]1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.O=C(O)[C@H]1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.OCCC1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)CCO1
• InChI: InChI=1S/C18H16F3N7.2C18H21F2N7OS.C17H17F3N6O2.C17H15F3N6O2.C17H16F2N6O2/c19-18(20,21)15-3-4-16-23-9-14(28(16)26-15)13-8-17(25-11-24-13)27-7-1-2-12(10-27)5-6-22;2*1-29(2,28)25-12-4-3-7-26(10-12)17-8-14(22-11-23-17)15-9-21-16-6-5-13(18(19)20)24-27(15)16;18-17(19,20)14-1-2-15-21-8-13(26(15)24-14)12-7-16(23-10-22-12)25-4-6-28-11(9-25)3-5-27;18-17(19,20)13-3-4-14-21-7-12(26(14)24-13)11-6-15(23-9-22-11)25-5-1-2-10(8-25)16(27)28;18-16(19)11-3-4-14-20-7-13(25(14)23-11)12-6-15(22-9-21-12)24-5-1-2-10(8-24)17(26)27/h3-4,8-9,11-12H,1-2,5,7,10H2;2*5-6,8-9,11-12,18H,3-4,7,10H2,1-2H3;1-2,7-8,10-11,27H,3-6,9H2;3-4,6-7,9-10H,1-2,5,8H2,(H,27,28);3-4,6-7,9-10,16H,1-2,5,8H2,(H,26,27)/t;12-;;;2*10-/m.0..00/s1
• InChIKey: FLKJZPGTMGBOOQ-XWKHYCJUSA-N
• XLogP: 15.70
• TPSA: 541.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 45
• Rotatable Bonds: 22
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2391.37
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile?

The IUPAC name of (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile (CID 158067502) is (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile.

What is the SMILES notation for (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile?

The canonical SMILES for (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile is CS(C)(=O)=NC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(C)(=O)=N[C@H]1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.N#CCC1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.O=C(O)[C@H]1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.O=C(O)[C@H]1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.OCCC1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)CCO1.

What is the InChIKey of (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile?

The InChIKey is FLKJZPGTMGBOOQ-XWKHYCJUSA-N. The full InChI is InChI=1S/C18H16F3N7.2C18H21F2N7OS.C17H17F3N6O2.C17H15F3N6O2.C17H16F2N6O2/c19-18(20,21)15-3-4-16-23-9-14(28(16)26-15)13-8-17(25-11-24-13)27-7-1-2-12(10-27)5-6-22;2*1-29(2,28)25-12-4-3-7-26(10-12)17-8-14(22-11-23-17)15-9-21-16-6-5-13(18(19)20)24-27(15)16;18-17(19,20)14-1-2-15-21-8-13(26(15)24-14)12-7-16(23-10-22-12)25-4-6-28-11(9-25)3-5-27;18-17(19,20)13-3-4-14-21-7-12(26(14)24-13)11-6-15(23-9-22-11)25-5-1-2-10(8-25)16(27)28;18-16(19)11-3-4-14-20-7-13(25(14)23-11)12-6-15(22-9-21-12)24-5-1-2-10(8-24)17(26)27/h3-4,8-9,11-12H,1-2,5,7,10H2;2*5-6,8-9,11-12,18H,3-4,7,10H2,1-2H3;1-2,7-8,10-11,27H,3-6,9H2;3-4,6-7,9-10H,1-2,5,8H2,(H,27,28);3-4,6-7,9-10,16H,1-2,5,8H2,(H,26,27)/t;12-;;;2*10-/m.0..00/s1.

What are the key properties of (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile?

(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile has a molecular weight of 2391.37 g/mol, XLogP of 15.70, 22 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile is sourced from PubChem (CID 158067502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).