2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide

C28H29F2N9OS — CID 59503585

About 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide

2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide (PubChem CID 59503585) has the molecular formula C28H29F2N9OS and a molecular weight of 577.67 g/mol. Its IUPAC name is 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide
• PubChem CID: 59503585
• Molecular Formula: C28H29F2N9OS
• Molecular Weight: 577.67 g/mol
• Exact Mass: 577.22
• IUPAC Name: 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide
• SMILES: Cc1cn2c(-c3cnn(CCNC(=O)c4cccc(F)c4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
• InChI: InChI=1S/C28H29F2N9OS/c1-18-15-39-23(19-13-33-38(16-19)11-8-31-28(40)21-6-5-7-22(29)25(21)30)14-32-27(39)26(34-18)35-24-12-20(36-41-24)17-37-9-3-2-4-10-37/h5-7,12-16H,2-4,8-11,17H2,1H3,(H,31,40)(H,34,35)
• InChIKey: VIGFDWUYUMJDKZ-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 105.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.67
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide?

The IUPAC name of 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide (CID 59503585) is 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide.

What is the SMILES notation for 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide?

The canonical SMILES for 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide is Cc1cn2c(-c3cnn(CCNC(=O)c4cccc(F)c4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.

What is the InChIKey of 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide?

The InChIKey is VIGFDWUYUMJDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N9OS/c1-18-15-39-23(19-13-33-38(16-19)11-8-31-28(40)21-6-5-7-22(29)25(21)30)14-32-27(39)26(34-18)35-24-12-20(36-41-24)17-37-9-3-2-4-10-37/h5-7,12-16H,2-4,8-11,17H2,1H3,(H,31,40)(H,34,35).

What are the key properties of 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide?

2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide has a molecular weight of 577.67 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-difluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 59503585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).