N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

C29H35N5O6 — CID 51068269

About N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 51068269) has the molecular formula C29H35N5O6 and a molecular weight of 549.63 g/mol. Its IUPAC name is N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
• PubChem CID: 51068269
• Molecular Formula: C29H35N5O6
• Molecular Weight: 549.63 g/mol
• Exact Mass: 549.26
• IUPAC Name: N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
• SMILES: COc1ccc(OC)c(C2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccco2)c1
• InChI: InChI=1S/C29H35N5O6/c1-31-10-4-6-24(31)23-19-25(22-18-21(37-2)8-9-26(22)38-3)34(30-23)28(35)20-33(29(36)27-7-5-15-40-27)12-11-32-13-16-39-17-14-32/h4-10,15,18,25H,11-14,16-17,19-20H2,1-3H3
• InChIKey: SUVHJHLJXMOPSF-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 101.98 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.63
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?

The IUPAC name of N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 51068269) is N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

What is the SMILES notation for N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?

The canonical SMILES for N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is COc1ccc(OC)c(C2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccco2)c1.

What is the InChIKey of N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?

The InChIKey is SUVHJHLJXMOPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O6/c1-31-10-4-6-24(31)23-19-25(22-18-21(37-2)8-9-26(22)38-3)34(30-23)28(35)20-33(29(36)27-7-5-15-40-27)12-11-32-13-16-39-17-14-32/h4-10,15,18,25H,11-14,16-17,19-20H2,1-3H3.

What are the key properties of N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?

N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 549.63 g/mol, XLogP of 2.79, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(2,5-dimethoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 51068269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).