N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide

C25H30N8OS — CID 163367914

About N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide

N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide (PubChem CID 163367914) has the molecular formula C25H30N8OS and a molecular weight of 490.64 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide
• PubChem CID: 163367914
• Molecular Formula: C25H30N8OS
• Molecular Weight: 490.64 g/mol
• Exact Mass: 490.23
• IUPAC Name: N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide
• SMILES: C[C@H]1CNCCN1c1nc(N2CC(C(=O)NC(C)(C)c3cnc4ccccn34)C2)c2sccc2n1
• InChI: InChI=1S/C25H30N8OS/c1-16-12-26-8-10-32(16)24-28-18-7-11-35-21(18)22(29-24)31-14-17(15-31)23(34)30-25(2,3)19-13-27-20-6-4-5-9-33(19)20/h4-7,9,11,13,16-17,26H,8,10,12,14-15H2,1-3H3,(H,30,34)/t16-/m0/s1
• InChIKey: PNDYBVJMKQUNIN-INIZCTEOSA-N
• XLogP: 2.62
• TPSA: 90.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.64
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide?

The IUPAC name of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide (CID 163367914) is N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide.

What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide?

The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide is C[C@H]1CNCCN1c1nc(N2CC(C(=O)NC(C)(C)c3cnc4ccccn34)C2)c2sccc2n1.

What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide?

The InChIKey is PNDYBVJMKQUNIN-INIZCTEOSA-N. The full InChI is InChI=1S/C25H30N8OS/c1-16-12-26-8-10-32(16)24-28-18-7-11-35-21(18)22(29-24)31-14-17(15-31)23(34)30-25(2,3)19-13-27-20-6-4-5-9-33(19)20/h4-7,9,11,13,16-17,26H,8,10,12,14-15H2,1-3H3,(H,30,34)/t16-/m0/s1.

What are the key properties of N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide?

N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide has a molecular weight of 490.64 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[2-[(2S)-2-methylpiperazin-1-yl]thieno[3,2-d]pyrimidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 163367914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).