2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C25H28N6O — CID 52908787

About 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 52908787) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
• PubChem CID: 52908787
• Molecular Formula: C25H28N6O
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.23
• IUPAC Name: 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
• SMILES: OCCn1ncc2c1CCC[C@H]2NCc1cn(Cc2ccccc2)nc1-c1cccnc1
• InChI: InChI=1S/C25H28N6O/c32-13-12-31-24-10-4-9-23(22(24)16-28-31)27-15-21-18-30(17-19-6-2-1-3-7-19)29-25(21)20-8-5-11-26-14-20/h1-3,5-8,11,14,16,18,23,27,32H,4,9-10,12-13,15,17H2/t23-/m1/s1
• InChIKey: DHXNWRGGHDYEQW-HSZRJFAPSA-N
• XLogP: 3.35
• TPSA: 80.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?

The IUPAC name of 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 52908787) is 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

What is the SMILES notation for 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?

The canonical SMILES for 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is OCCn1ncc2c1CCC[C@H]2NCc1cn(Cc2ccccc2)nc1-c1cccnc1.

What is the InChIKey of 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?

The InChIKey is DHXNWRGGHDYEQW-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28N6O/c32-13-12-31-24-10-4-9-23(22(24)16-28-31)27-15-21-18-30(17-19-6-2-1-3-7-19)29-25(21)20-8-5-11-26-14-20/h1-3,5-8,11,14,16,18,23,27,32H,4,9-10,12-13,15,17H2/t23-/m1/s1.

What are the key properties of 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?

2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 428.54 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 52908787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).