N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine

C30H27N15S2 — CID 143464770

About N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine

N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine (PubChem CID 143464770) has the molecular formula C30H27N15S2 and a molecular weight of 661.79 g/mol. Its IUPAC name is N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine
• PubChem CID: 143464770
• Molecular Formula: C30H27N15S2
• Molecular Weight: 661.79 g/mol
• Exact Mass: 661.20
• IUPAC Name: N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine
• SMILES: Cn1cc(-c2cnc3c(Nc4sncc4-n4cc(-c5cnc6c(Nc7cc(C8CCCNC8)ns7)nccn56)cn4)nccn23)cn1
• InChI: InChI=1S/C30H27N15S2/c1-42-16-19(11-36-42)22-13-35-29-27(33-6-8-43(22)29)40-30-24(15-38-47-30)45-17-20(12-37-45)23-14-34-28-26(32-5-7-44(23)28)39-25-9-21(41-46-25)18-3-2-4-31-10-18/h5-9,11-18,31H,2-4,10H2,1H3,(H,32,39)(H,33,40)
• InChIKey: VEETUVJLLCQAQY-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 157.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.79
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine?

The IUPAC name of N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine (CID 143464770) is N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine.

What is the SMILES notation for N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine?

The canonical SMILES for N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine is Cn1cc(-c2cnc3c(Nc4sncc4-n4cc(-c5cnc6c(Nc7cc(C8CCCNC8)ns7)nccn56)cn4)nccn23)cn1.

What is the InChIKey of N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine?

The InChIKey is VEETUVJLLCQAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N15S2/c1-42-16-19(11-36-42)22-13-35-29-27(33-6-8-43(22)29)40-30-24(15-38-47-30)45-17-20(12-37-45)23-14-34-28-26(32-5-7-44(23)28)39-25-9-21(41-46-25)18-3-2-4-31-10-18/h5-9,11-18,31H,2-4,10H2,1H3,(H,32,39)(H,33,40).

What are the key properties of N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine?

N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine has a molecular weight of 661.79 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 143464770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).