methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate

C30H28N6O6 — CID 67030586

About methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate

methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate (PubChem CID 67030586) has the molecular formula C30H28N6O6 and a molecular weight of 568.59 g/mol. Its IUPAC name is methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
• PubChem CID: 67030586
• Molecular Formula: C30H28N6O6
• Molecular Weight: 568.59 g/mol
• Exact Mass: 568.21
• IUPAC Name: methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
• SMILES: COC(=O)n1nc(NC(=O)c2ccccc2NC(=O)c2cccn2C)c2oc(C(=O)NC(C)(C)c3ccccc3)cc21
• InChI: InChI=1S/C30H28N6O6/c1-30(2,18-11-6-5-7-12-18)33-28(39)23-17-22-24(42-23)25(34-36(22)29(40)41-4)32-26(37)19-13-8-9-14-20(19)31-27(38)21-15-10-16-35(21)3/h5-17H,1-4H3,(H,31,38)(H,33,39)(H,32,34,37)
• InChIKey: QJRMPBKDAPHCTD-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 149.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.59
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate?

The IUPAC name of methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate (CID 67030586) is methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate.

What is the SMILES notation for methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate?

The canonical SMILES for methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate is COC(=O)n1nc(NC(=O)c2ccccc2NC(=O)c2cccn2C)c2oc(C(=O)NC(C)(C)c3ccccc3)cc21.

What is the InChIKey of methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate?

The InChIKey is QJRMPBKDAPHCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O6/c1-30(2,18-11-6-5-7-12-18)33-28(39)23-17-22-24(42-23)25(34-36(22)29(40)41-4)32-26(37)19-13-8-9-14-20(19)31-27(38)21-15-10-16-35(21)3/h5-17H,1-4H3,(H,31,38)(H,33,39)(H,32,34,37).

What are the key properties of methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate?

methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate has a molecular weight of 568.59 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate is sourced from PubChem (CID 67030586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).