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

C30H26FN9O2S — CID 118537131

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

N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 118537131) has the molecular formula C30H26FN9O2S and a molecular weight of 595.66 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-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-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 118537131
• Molecular Formula: C30H26FN9O2S
• Molecular Weight: 595.66 g/mol
• Exact Mass: 595.19
• IUPAC Name: N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-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)c3N3CCOCC3)ccc2n1
• InChI: InChI=1S/C30H26FN9O2S/c1-18-27(43-29(33-18)20-9-11-32-12-10-20)28(41)35-23-17-40-24(34-23)8-7-22(36-40)25-26(19-3-5-21(31)6-4-19)37-38(2)30(25)39-13-15-42-16-14-39/h3-12,17H,13-16H2,1-2H3,(H,35,41)
• InChIKey: NDPBPKQEPKQRSX-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 115.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.66
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-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-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 118537131) is N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-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-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-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-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-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)c3N3CCOCC3)ccc2n1.

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

The InChIKey is NDPBPKQEPKQRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN9O2S/c1-18-27(43-29(33-18)20-9-11-32-12-10-20)28(41)35-23-17-40-24(34-23)8-7-22(36-40)25-26(19-3-5-21(31)6-4-19)37-38(2)30(25)39-13-15-42-16-14-39/h3-12,17H,13-16H2,1-2H3,(H,35,41).

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

N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-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 595.66 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-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 118537131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).