N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine

C30H42N8O4S2 — CID 71121561

About N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine

N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine (PubChem CID 71121561) has the molecular formula C30H42N8O4S2 and a molecular weight of 642.85 g/mol. Its IUPAC name is N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine.

Molecular Properties

• Compound Name: N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine
• PubChem CID: 71121561
• Molecular Formula: C30H42N8O4S2
• Molecular Weight: 642.85 g/mol
• Exact Mass: 642.28
• IUPAC Name: N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine
• SMILES: CS(=O)(=O)N1CCC(N(CCN2CCOCC2)CC2Cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3S2)CC1
• InChI: InChI=1S/C30H42N8O4S2/c1-44(39,40)38-7-5-22(6-8-38)37(10-9-35-11-15-41-16-12-35)21-23-19-27-28(43-23)30(36-13-17-42-18-14-36)33-29(32-27)24-3-2-4-26-25(24)20-31-34-26/h2-4,20,22-23H,5-19,21H2,1H3,(H,31,34)
• InChIKey: FHMJICBBCOSNOP-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 120.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.85
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine?

The IUPAC name of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine (CID 71121561) is N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine.

What is the SMILES notation for N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine?

The canonical SMILES for N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine is CS(=O)(=O)N1CCC(N(CCN2CCOCC2)CC2Cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3S2)CC1.

What is the InChIKey of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine?

The InChIKey is FHMJICBBCOSNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N8O4S2/c1-44(39,40)38-7-5-22(6-8-38)37(10-9-35-11-15-41-16-12-35)21-23-19-27-28(43-23)30(36-13-17-42-18-14-36)33-29(32-27)24-3-2-4-26-25(24)20-31-34-26/h2-4,20,22-23H,5-19,21H2,1H3,(H,31,34).

What are the key properties of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine?

N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine has a molecular weight of 642.85 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonyl-N-(2-morpholin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 71121561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).