8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile

C46H46N8O9S2 — CID 158282196

About 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile

8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile (PubChem CID 158282196) has the molecular formula C46H46N8O9S2 and a molecular weight of 919.05 g/mol. Its IUPAC name is 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile.

Molecular Properties

• Compound Name: 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile
• PubChem CID: 158282196
• Molecular Formula: C46H46N8O9S2
• Molecular Weight: 919.05 g/mol
• Exact Mass: 918.28
• IUPAC Name: 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile
• SMILES: CC1(C)COCCN1.COc1cc2c(cc1C#N)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1ccsc1)CO2.COc1cc2c(cc1C#N)-c1c(c(C(=O)O)nn1-c1ccsc1)CO2
• InChI: InChI=1S/C23H22N4O4S.C17H11N3O4S.C6H13NO/c1-23(2)13-30-6-5-26(23)22(28)20-17-11-31-19-9-18(29-3)14(10-24)8-16(19)21(17)27(25-20)15-4-7-32-12-15;1-23-13-5-14-11(4-9(13)6-18)16-12(7-24-14)15(17(21)22)19-20(16)10-2-3-25-8-10;1-6(2)5-8-4-3-7-6/h4,7-9,12H,5-6,11,13H2,1-3H3;2-5,8H,7H2,1H3,(H,21,22);7H,3-5H2,1-2H3
• InChIKey: GKIPQUWMNQSYRU-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 208.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	919.05
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile?

The IUPAC name of 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile (CID 158282196) is 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile.

What is the SMILES notation for 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile?

The canonical SMILES for 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile is CC1(C)COCCN1.COc1cc2c(cc1C#N)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1ccsc1)CO2.COc1cc2c(cc1C#N)-c1c(c(C(=O)O)nn1-c1ccsc1)CO2.

What is the InChIKey of 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile?

The InChIKey is GKIPQUWMNQSYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S.C17H11N3O4S.C6H13NO/c1-23(2)13-30-6-5-26(23)22(28)20-17-11-31-19-9-18(29-3)14(10-24)8-16(19)21(17)27(25-20)15-4-7-32-12-15;1-23-13-5-14-11(4-9(13)6-18)16-12(7-24-14)15(17(21)22)19-20(16)10-2-3-25-8-10;1-6(2)5-8-4-3-7-6/h4,7-9,12H,5-6,11,13H2,1-3H3;2-5,8H,7H2,1H3,(H,21,22);7H,3-5H2,1-2H3.

What are the key properties of 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile?

8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile has a molecular weight of 919.05 g/mol, XLogP of 7.08, 6 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile is sourced from PubChem (CID 158282196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).