(4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

C22H21FN6 — CID 42292954

About (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

(4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 42292954) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

• Compound Name: (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
• PubChem CID: 42292954
• Molecular Formula: C22H21FN6
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.18
• IUPAC Name: (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
• SMILES: Fc1ccc(-n2cccn2)c(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)c1
• InChI: InChI=1S/C22H21FN6/c23-17-8-9-20(28-12-4-11-26-28)16(13-17)14-25-19-5-3-6-21-18(19)15-27-29(21)22-7-1-2-10-24-22/h1-2,4,7-13,15,19,25H,3,5-6,14H2/t19-/m1/s1
• InChIKey: YSKJDGSOBUHKIH-LJQANCHMSA-N
• XLogP: 3.76
• TPSA: 60.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?

The IUPAC name of (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (CID 42292954) is (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.

What is the SMILES notation for (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?

The canonical SMILES for (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is Fc1ccc(-n2cccn2)c(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)c1.

What is the InChIKey of (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?

The InChIKey is YSKJDGSOBUHKIH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21FN6/c23-17-8-9-20(28-12-4-11-26-28)16(13-17)14-25-19-5-3-6-21-18(19)15-27-29(21)22-7-1-2-10-24-22/h1-2,4,7-13,15,19,25H,3,5-6,14H2/t19-/m1/s1.

What are the key properties of (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?

(4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 388.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 42292954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).