N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide

C28H31N5O3 — CID 68909369

About N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide

N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide (PubChem CID 68909369) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide
• PubChem CID: 68909369
• Molecular Formula: C28H31N5O3
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.24
• IUPAC Name: N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide
• SMILES: CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(CN4CCCCC4)cc3)c2o1)c1ccccc1
• InChI: InChI=1S/C28H31N5O3/c1-28(2,21-9-5-3-6-10-21)30-27(35)23-17-22-24(36-23)25(32-31-22)29-26(34)20-13-11-19(12-14-20)18-33-15-7-4-8-16-33/h3,5-6,9-14,17H,4,7-8,15-16,18H2,1-2H3,(H,30,35)(H2,29,31,32,34)
• InChIKey: PXYMFFUURZRYGO-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 103.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide?

The IUPAC name of N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide (CID 68909369) is N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide.

What is the SMILES notation for N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide?

The canonical SMILES for N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide is CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(CN4CCCCC4)cc3)c2o1)c1ccccc1.

What is the InChIKey of N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide?

The InChIKey is PXYMFFUURZRYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-28(2,21-9-5-3-6-10-21)30-27(35)23-17-22-24(36-23)25(32-31-22)29-26(34)20-13-11-19(12-14-20)18-33-15-7-4-8-16-33/h3,5-6,9-14,17H,4,7-8,15-16,18H2,1-2H3,(H,30,35)(H2,29,31,32,34).

What are the key properties of N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide?

N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 5.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenylpropan-2-yl)-3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1H-furo[3,2-c]pyrazole-5-carboxamide is sourced from PubChem (CID 68909369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).