5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide

C30H27F2N5O5 — CID 118615247

About 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide

5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide (PubChem CID 118615247) has the molecular formula C30H27F2N5O5 and a molecular weight of 575.57 g/mol. Its IUPAC name is 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide
• PubChem CID: 118615247
• Molecular Formula: C30H27F2N5O5
• Molecular Weight: 575.57 g/mol
• Exact Mass: 575.20
• IUPAC Name: 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide
• SMILES: COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(F)cc(F)c1)CO2
• InChI: InChI=1S/C30H27F2N5O5/c1-30(2)15-41-5-4-36(30)29(39)26-23-14-42-25-11-24(40-3)21(16-6-17(28(33)38)13-34-12-16)10-22(25)27(23)37(35-26)20-8-18(31)7-19(32)9-20/h6-13H,4-5,14-15H2,1-3H3,(H2,33,38)
• InChIKey: RMVWXJKYFLAIHN-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 121.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.57
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide?

The IUPAC name of 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide (CID 118615247) is 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide is COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(F)cc(F)c1)CO2.

What is the InChIKey of 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide?

The InChIKey is RMVWXJKYFLAIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N5O5/c1-30(2)15-41-5-4-36(30)29(39)26-23-14-42-25-11-24(40-3)21(16-6-17(28(33)38)13-34-12-16)10-22(25)27(23)37(35-26)20-8-18(31)7-19(32)9-20/h6-13H,4-5,14-15H2,1-3H3,(H2,33,38).

What are the key properties of 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide?

5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide has a molecular weight of 575.57 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118615247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).