N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C26H28N6O2 — CID 28811586

About N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 28811586) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 28811586
• Molecular Formula: C26H28N6O2
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.23
• IUPAC Name: N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: O=C(NCc1ccccc1)c1nn(CCO)c2c1CN(Cc1cn[nH]c1-c1ccccc1)CC2
• InChI: InChI=1S/C26H28N6O2/c33-14-13-32-23-11-12-31(17-21-16-28-29-24(21)20-9-5-2-6-10-20)18-22(23)25(30-32)26(34)27-15-19-7-3-1-4-8-19/h1-10,16,33H,11-15,17-18H2,(H,27,34)(H,28,29)
• InChIKey: BTJBSHJXJDPNKT-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 99.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 28811586) is N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1ccccc1)c1nn(CCO)c2c1CN(Cc1cn[nH]c1-c1ccccc1)CC2.

What is the InChIKey of N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is BTJBSHJXJDPNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c33-14-13-32-23-11-12-31(17-21-16-28-29-24(21)20-9-5-2-6-10-20)18-22(23)25(30-32)26(34)27-15-19-7-3-1-4-8-19/h1-10,16,33H,11-15,17-18H2,(H,27,34)(H,28,29).

What are the key properties of N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 28811586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).