N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine

C32H37N7O2S — CID 91541684

About N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine

N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine (PubChem CID 91541684) has the molecular formula C32H37N7O2S and a molecular weight of 583.76 g/mol. Its IUPAC name is N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine
• PubChem CID: 91541684
• Molecular Formula: C32H37N7O2S
• Molecular Weight: 583.76 g/mol
• Exact Mass: 583.27
• IUPAC Name: N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine
• SMILES: CN(C)C1CCN(C(c2cc3ncncc3s2)N2CCOC(c3ccc(OCc4ccccc4)c4nccn34)C2)CC1
• InChI: InChI=1S/C32H37N7O2S/c1-36(2)24-10-13-37(14-11-24)32(29-18-25-30(42-29)19-33-22-35-25)38-16-17-40-28(20-38)26-8-9-27(31-34-12-15-39(26)31)41-21-23-6-4-3-5-7-23/h3-9,12,15,18-19,22,24,28,32H,10-11,13-14,16-17,20-21H2,1-2H3
• InChIKey: ALCIOBSOIPYPRI-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 71.26 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.76
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine?

The IUPAC name of N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine (CID 91541684) is N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine.

What is the SMILES notation for N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine?

The canonical SMILES for N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine is CN(C)C1CCN(C(c2cc3ncncc3s2)N2CCOC(c3ccc(OCc4ccccc4)c4nccn34)C2)CC1.

What is the InChIKey of N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine?

The InChIKey is ALCIOBSOIPYPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O2S/c1-36(2)24-10-13-37(14-11-24)32(29-18-25-30(42-29)19-33-22-35-25)38-16-17-40-28(20-38)26-8-9-27(31-34-12-15-39(26)31)41-21-23-6-4-3-5-7-23/h3-9,12,15,18-19,22,24,28,32H,10-11,13-14,16-17,20-21H2,1-2H3.

What are the key properties of N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine?

N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine has a molecular weight of 583.76 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[[2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-amine is sourced from PubChem (CID 91541684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).