N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

C34H31FN10OS — CID 90241811

About N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 90241811) has the molecular formula C34H31FN10OS and a molecular weight of 646.76 g/mol. Its IUPAC name is N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 90241811
• Molecular Formula: C34H31FN10OS
• Molecular Weight: 646.76 g/mol
• Exact Mass: 646.24
• IUPAC Name: N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccncc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(CCC#N)CC3)ccc2n1
• InChI: InChI=1S/C34H31FN10OS/c1-21-32(47-34(38-21)24-10-15-37-16-11-24)33(46)40-27-20-45-28(39-27)9-8-26(41-45)29-30(22-4-6-25(35)7-5-22)42-43(2)31(29)23-12-18-44(19-13-23)17-3-14-36/h4-11,15-16,20,23H,3,12-13,17-19H2,1-2H3,(H,40,46)
• InChIKey: WSYWKLDBHHRDDU-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 129.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	646.76
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 90241811) is N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccncc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(CCC#N)CC3)ccc2n1.

What is the InChIKey of N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?

The InChIKey is WSYWKLDBHHRDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31FN10OS/c1-21-32(47-34(38-21)24-10-15-37-16-11-24)33(46)40-27-20-45-28(39-27)9-8-26(41-45)29-30(22-4-6-25(35)7-5-22)42-43(2)31(29)23-12-18-44(19-13-23)17-3-14-36/h4-11,15-16,20,23H,3,12-13,17-19H2,1-2H3,(H,40,46).

What are the key properties of N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?

N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 646.76 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-[1-(2-cyanoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90241811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).