formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide

C27H34N6O8 — CID 175188659

About formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide

formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide (PubChem CID 175188659) has the molecular formula C27H34N6O8 and a molecular weight of 570.60 g/mol. Its IUPAC name is formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 175188659
• Molecular Formula: C27H34N6O8
• Molecular Weight: 570.60 g/mol
• Exact Mass: 570.24
• IUPAC Name: formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide
• SMILES: COCCOCCn1cc(-c2c(NC(=O)c3ccco3)c(-c3ccccn3)nn2CCOCCOC)cn1.O=CO
• InChI: InChI=1S/C26H32N6O6.CH2O2/c1-34-14-16-36-12-9-31-19-20(18-28-31)25-24(29-26(33)22-7-5-11-38-22)23(21-6-3-4-8-27-21)30-32(25)10-13-37-17-15-35-2;2-1-3/h3-8,11,18-19H,9-10,12-17H2,1-2H3,(H,29,33);1H,(H,2,3)
• InChIKey: IXXWIHZIJCXUTG-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 164.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.60
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide (CID 175188659) is formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide.

What is the SMILES notation for formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide?

The canonical SMILES for formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide is COCCOCCn1cc(-c2c(NC(=O)c3ccco3)c(-c3ccccn3)nn2CCOCCOC)cn1.O=CO.

What is the InChIKey of formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide?

The InChIKey is IXXWIHZIJCXUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O6.CH2O2/c1-34-14-16-36-12-9-31-19-20(18-28-31)25-24(29-26(33)22-7-5-11-38-22)23(21-6-3-4-8-27-21)30-32(25)10-13-37-17-15-35-2;2-1-3/h3-8,11,18-19H,9-10,12-17H2,1-2H3,(H,29,33);1H,(H,2,3).

What are the key properties of formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide?

formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide has a molecular weight of 570.60 g/mol, XLogP of 2.68, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 175188659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).