N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine

C44H47ClN14O2S2 — CID 162226581

About N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine

N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine (PubChem CID 162226581) has the molecular formula C44H47ClN14O2S2 and a molecular weight of 903.54 g/mol. Its IUPAC name is N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine
• PubChem CID: 162226581
• Molecular Formula: C44H47ClN14O2S2
• Molecular Weight: 903.54 g/mol
• Exact Mass: 902.31
• IUPAC Name: N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine
• SMILES: Cn1cc(-c2cc3ncnc(Cl)c3s2)cn1.Cn1cc(-c2cc3ncnc(N4CCN(C(=O)NCc5ccccc5)CC4)c3s2)cn1.O=C(NCc1ccccc1)N1CCNCC1
• InChI: InChI=1S/C22H23N7OS.C12H17N3O.C10H7ClN4S/c1-27-14-17(13-26-27)19-11-18-20(31-19)21(25-15-24-18)28-7-9-29(10-8-28)22(30)23-12-16-5-3-2-4-6-16;16-12(15-8-6-13-7-9-15)14-10-11-4-2-1-3-5-11;1-15-4-6(3-14-15)8-2-7-9(16-8)10(11)13-5-12-7/h2-6,11,13-15H,7-10,12H2,1H3,(H,23,30);1-5,13H,6-10H2,(H,14,16);2-5H,1H3
• InChIKey: ZUVSGNVTRAMBPQ-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 167.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.54
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine?

The IUPAC name of N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine (CID 162226581) is N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine.

What is the SMILES notation for N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine?

The canonical SMILES for N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine is Cn1cc(-c2cc3ncnc(Cl)c3s2)cn1.Cn1cc(-c2cc3ncnc(N4CCN(C(=O)NCc5ccccc5)CC4)c3s2)cn1.O=C(NCc1ccccc1)N1CCNCC1.

What is the InChIKey of N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine?

The InChIKey is ZUVSGNVTRAMBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS.C12H17N3O.C10H7ClN4S/c1-27-14-17(13-26-27)19-11-18-20(31-19)21(25-15-24-18)28-7-9-29(10-8-28)22(30)23-12-16-5-3-2-4-6-16;16-12(15-8-6-13-7-9-15)14-10-11-4-2-1-3-5-11;1-15-4-6(3-14-15)8-2-7-9(16-8)10(11)13-5-12-7/h2-6,11,13-15H,7-10,12H2,1H3,(H,23,30);1-5,13H,6-10H2,(H,14,16);2-5H,1H3.

What are the key properties of N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine?

N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine has a molecular weight of 903.54 g/mol, XLogP of 6.67, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-benzylpiperazine-1-carboxamide;4-chloro-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 162226581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).