4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C26H28N6O2S — CID 86718062

About 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 86718062) has the molecular formula C26H28N6O2S and a molecular weight of 488.62 g/mol. Its IUPAC name is 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 86718062
• Molecular Formula: C26H28N6O2S
• Molecular Weight: 488.62 g/mol
• Exact Mass: 488.20
• IUPAC Name: 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: COc1cccc([C@H](C)NC(=O)N2CC=C(c3ncnc4cc(-c5cn(C)nc5C)sc34)CC2)c1
• InChI: InChI=1S/C26H28N6O2S/c1-16(19-6-5-7-20(12-19)34-4)29-26(33)32-10-8-18(9-11-32)24-25-22(27-15-28-24)13-23(35-25)21-14-31(3)30-17(21)2/h5-8,12-16H,9-11H2,1-4H3,(H,29,33)/t16-/m0/s1
• InChIKey: IYRXELIBYKOYPJ-INIZCTEOSA-N
• XLogP: 4.97
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.62
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 86718062) is 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide is COc1cccc([C@H](C)NC(=O)N2CC=C(c3ncnc4cc(-c5cn(C)nc5C)sc34)CC2)c1.

What is the InChIKey of 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is IYRXELIBYKOYPJ-INIZCTEOSA-N. The full InChI is InChI=1S/C26H28N6O2S/c1-16(19-6-5-7-20(12-19)34-4)29-26(33)32-10-8-18(9-11-32)24-25-22(27-15-28-24)13-23(35-25)21-14-31(3)30-17(21)2/h5-8,12-16H,9-11H2,1-4H3,(H,29,33)/t16-/m0/s1.

What are the key properties of 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 488.62 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 86718062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).