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

C32H37N7O2S — CID 59605648

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

N,N-dimethyl-1-[[4-morpholin-4-yl-2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine (PubChem CID 59605648) has the molecular formula C32H37N7O2S and a molecular weight of 583.76 g/mol. Its IUPAC name is N,N-dimethyl-1-[[4-morpholin-4-yl-2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[[4-morpholin-4-yl-2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine
• PubChem CID: 59605648
• Molecular Formula: C32H37N7O2S
• Molecular Weight: 583.76 g/mol
• Exact Mass: 583.27
• IUPAC Name: N,N-dimethyl-1-[[4-morpholin-4-yl-2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine
• SMILES: CN(C)C1CCN(Cc2cc3nc(-c4ccc(OCc5ccccc5)c5nccn45)nc(N4CCOCC4)c3s2)CC1
• InChI: InChI=1S/C32H37N7O2S/c1-36(2)24-10-13-37(14-11-24)21-25-20-26-29(42-25)32(38-16-18-40-19-17-38)35-30(34-26)27-8-9-28(31-33-12-15-39(27)31)41-22-23-6-4-3-5-7-23/h3-9,12,15,20,24H,10-11,13-14,16-19,21-22H2,1-2H3
• InChIKey: LDQHITFEZDYFEW-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 71.26 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.76
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-1-[[4-morpholin-4-yl-2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine (CID 59605648) is N,N-dimethyl-1-[[4-morpholin-4-yl-2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine.

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

The canonical SMILES for N,N-dimethyl-1-[[4-morpholin-4-yl-2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine is CN(C)C1CCN(Cc2cc3nc(-c4ccc(OCc5ccccc5)c5nccn45)nc(N4CCOCC4)c3s2)CC1.

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

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

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

N,N-dimethyl-1-[[4-morpholin-4-yl-2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine has a molecular weight of 583.76 g/mol, XLogP of 4.95, 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-[[4-morpholin-4-yl-2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 59605648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).