8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C26H29N5O3S — CID 155249975

About 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 155249975) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• PubChem CID: 155249975
• Molecular Formula: C26H29N5O3S
• Molecular Weight: 491.62 g/mol
• Exact Mass: 491.20
• IUPAC Name: 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
• SMILES: COc1cc2c(cc1-c1cnc(C)n1C)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2
• InChI: InChI=1S/C26H29N5O3S/c1-15-27-11-20(30(15)5)17-9-18-22(10-21(17)33-6)34-12-19-23(25(32)28-14-26(2,3)4)29-31(24(18)19)16-7-8-35-13-16/h7-11,13H,12,14H2,1-6H3,(H,28,32)
• InChIKey: FXYOOBHIVAEYRB-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 83.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.62
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The IUPAC name of 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 155249975) is 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

What is the SMILES notation for 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The canonical SMILES for 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1cc2c(cc1-c1cnc(C)n1C)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2.

What is the InChIKey of 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

The InChIKey is FXYOOBHIVAEYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-15-27-11-20(30(15)5)17-9-18-22(10-21(17)33-6)34-12-19-23(25(32)28-14-26(2,3)4)29-31(24(18)19)16-7-8-35-13-16/h7-11,13H,12,14H2,1-6H3,(H,28,32).

What are the key properties of 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?

8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,3-dimethylimidazol-4-yl)-N-(2,2-dimethylpropyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 155249975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).