7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C26H27N5O5S — CID 121368658

About 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 121368658) has the molecular formula C26H27N5O5S and a molecular weight of 527.64 g/mol. Its IUPAC name is 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• PubChem CID: 121368658
• Molecular Formula: C26H27N5O5S
• Molecular Weight: 527.64 g/mol
• Exact Mass: 527.21
• IUPAC Name: 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• SMILES: [2H]C([2H])([2H])OCC1(N(C(=O)c2nn(-c3ccsc3)c3c2COc2cc(OC)c(-c4ccn(C)n4)cc2-3)C([2H])([2H])[2H])COC1
• InChI: InChI=1S/C26H27N5O5S/c1-29-7-5-20(27-29)17-9-18-22(10-21(17)34-4)36-11-19-23(28-31(24(18)19)16-6-8-37-12-16)25(32)30(2)26(13-33-3)14-35-15-26/h5-10,12H,11,13-15H2,1-4H3/i2D3,3D3
• InChIKey: YFLCKGCSRFPRMM-XERRXZQWSA-N
• XLogP: 3.39
• TPSA: 92.87 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.64
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The IUPAC name of 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 121368658) is 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

What is the SMILES notation for 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The canonical SMILES for 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is [2H]C([2H])([2H])OCC1(N(C(=O)c2nn(-c3ccsc3)c3c2COc2cc(OC)c(-c4ccn(C)n4)cc2-3)C([2H])([2H])[2H])COC1.

What is the InChIKey of 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The InChIKey is YFLCKGCSRFPRMM-XERRXZQWSA-N. The full InChI is InChI=1S/C26H27N5O5S/c1-29-7-5-20(27-29)17-9-18-22(10-21(17)34-4)36-11-19-23(28-31(24(18)19)16-6-8-37-12-16)25(32)30(2)26(13-33-3)14-35-15-26/h5-10,12H,11,13-15H2,1-4H3/i2D3,3D3.

What are the key properties of 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 527.64 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 121368658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).