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7-methoxy-8-(2-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 121368662

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-methoxy-8-(2-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(-c4ccnn4C)cc2-3)C([2H])([2H])[2H])COC1
InChIInChI=1S/C26H27N5O5S/c1-29(26(13-33-3)14-35-15-26)25(32)23-19-11-36-22-10-21(34-4)17(20-5-7-27-30(20)2)9-18(22)24(19)31(28-23)16-6-8-37-12-16/h5-10,12H,11,13-15H2,1-4H3/i1D3,3D3
InChIKeyFYHDMBJTGAPSCI-WTJPRRJNSA-N
MW527.64 g/mol
LogP3.39
Rot. Bonds9

About 7-methoxy-8-(2-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-(2-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 121368662) has the molecular formula C26H27N5O5S and a molecular weight of 527.64 g/mol. Its IUPAC name is 7-methoxy-8-(2-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 Name7-methoxy-8-(2-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID121368662
Molecular FormulaC26H27N5O5S
Molecular Weight527.64 g/mol
Exact Mass527.21
IUPAC Name7-methoxy-8-(2-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(-c4ccnn4C)cc2-3)C([2H])([2H])[2H])COC1
InChIInChI=1S/C26H27N5O5S/c1-29(26(13-33-3)14-35-15-26)25(32)23-19-11-36-22-10-21(34-4)17(20-5-7-27-30(20)2)9-18(22)24(19)31(28-23)16-6-8-37-12-16/h5-10,12H,11,13-15H2,1-4H3/i1D3,3D3
InChIKeyFYHDMBJTGAPSCI-WTJPRRJNSA-N
XLogP3.39
TPSA92.87 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.64
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-(2-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-(2-methylpyrazol-3-yl)-1-thiophen-3-yl-N-[3-(trideuteriomethoxymethyl)oxetan-3-yl]-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 121368662) is 7-methoxy-8-(2-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-(2-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-(2-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(-c4ccnn4C)cc2-3)C([2H])([2H])[2H])COC1.
What is the InChIKey of 7-methoxy-8-(2-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 FYHDMBJTGAPSCI-WTJPRRJNSA-N. The full InChI is InChI=1S/C26H27N5O5S/c1-29(26(13-33-3)14-35-15-26)25(32)23-19-11-36-22-10-21(34-4)17(20-5-7-27-30(20)2)9-18(22)24(19)31(28-23)16-6-8-37-12-16/h5-10,12H,11,13-15H2,1-4H3/i1D3,3D3.
What are the key properties of 7-methoxy-8-(2-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-(2-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-(2-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 121368662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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