N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid

C25H30N6O4 — CID 171688723

About N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid

N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid (PubChem CID 171688723) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid.

Molecular Properties

• Compound Name: N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid
• PubChem CID: 171688723
• Molecular Formula: C25H30N6O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.23
• IUPAC Name: N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid
• SMILES: O=C(NCC1OCCc2cn(Cc3ccccc3)nc21)N1CCN(c2ccncc2)CC1.O=CO
• InChI: InChI=1S/C24H28N6O2.CH2O2/c31-24(29-13-11-28(12-14-29)21-6-9-25-10-7-21)26-16-22-23-20(8-15-32-22)18-30(27-23)17-19-4-2-1-3-5-19;2-1-3/h1-7,9-10,18,22H,8,11-17H2,(H,26,31);1H,(H,2,3)
• InChIKey: XQZQXIUTLZGETJ-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 112.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid?

The IUPAC name of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid (CID 171688723) is N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid.

What is the SMILES notation for N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid?

The canonical SMILES for N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid is O=C(NCC1OCCc2cn(Cc3ccccc3)nc21)N1CCN(c2ccncc2)CC1.O=CO.

What is the InChIKey of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid?

The InChIKey is XQZQXIUTLZGETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2.CH2O2/c31-24(29-13-11-28(12-14-29)21-6-9-25-10-7-21)26-16-22-23-20(8-15-32-22)18-30(27-23)17-19-4-2-1-3-5-19;2-1-3/h1-7,9-10,18,22H,8,11-17H2,(H,26,31);1H,(H,2,3).

What are the key properties of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid?

N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid has a molecular weight of 478.55 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid is sourced from PubChem (CID 171688723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).