N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide

C29H35N9O2S — CID 143866245

About N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide

N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide (PubChem CID 143866245) has the molecular formula C29H35N9O2S and a molecular weight of 573.73 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide
• PubChem CID: 143866245
• Molecular Formula: C29H35N9O2S
• Molecular Weight: 573.73 g/mol
• Exact Mass: 573.26
• IUPAC Name: N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide
• SMILES: Cc1cn2c(C3=CN(CC(=O)Nc4cccc(CO)c4)NC3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
• InChI: InChI=1S/C29H35N9O2S/c1-19-5-4-8-36(13-19)16-24-10-27(41-35-24)34-28-29-30-12-25(38(29)14-20(2)32-28)22-11-31-37(15-22)17-26(40)33-23-7-3-6-21(9-23)18-39/h3,6-7,9-10,12,14-15,19,31,39H,4-5,8,11,13,16-18H2,1-2H3,(H,32,34)(H,33,40)
• InChIKey: NPQIKPVDDOFMBR-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 122.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.73
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide?

The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide (CID 143866245) is N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide.

What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide?

The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide is Cc1cn2c(C3=CN(CC(=O)Nc4cccc(CO)c4)NC3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.

What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide?

The InChIKey is NPQIKPVDDOFMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N9O2S/c1-19-5-4-8-36(13-19)16-24-10-27(41-35-24)34-28-29-30-12-25(38(29)14-20(2)32-28)22-11-31-37(15-22)17-26(40)33-23-7-3-6-21(9-23)18-39/h3,6-7,9-10,12,14-15,19,31,39H,4-5,8,11,13,16-18H2,1-2H3,(H,32,34)(H,33,40).

What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide?

N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide has a molecular weight of 573.73 g/mol, XLogP of 3.76, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(hydroxymethyl)phenyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]acetamide is sourced from PubChem (CID 143866245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).