(4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

C28H26N6 — CID 26407661

About (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

(4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 26407661) has the molecular formula C28H26N6 and a molecular weight of 446.56 g/mol. Its IUPAC name is (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

• Compound Name: (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
• PubChem CID: 26407661
• Molecular Formula: C28H26N6
• Molecular Weight: 446.56 g/mol
• Exact Mass: 446.22
• IUPAC Name: (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
• SMILES: c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CCCc3c2cnn3-c2ccccn2)cc1
• InChI: InChI=1S/C28H26N6/c1-3-10-21(11-4-1)28-22(20-33(32-28)23-12-5-2-6-13-23)18-30-25-14-9-15-26-24(25)19-31-34(26)27-16-7-8-17-29-27/h1-8,10-13,16-17,19-20,25,30H,9,14-15,18H2/t25-/m0/s1
• InChIKey: QXIDJIQGQGBYKM-VWLOTQADSA-N
• XLogP: 5.29
• TPSA: 60.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.56
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?

The IUPAC name of (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (CID 26407661) is (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.

What is the SMILES notation for (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?

The canonical SMILES for (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CCCc3c2cnn3-c2ccccn2)cc1.

What is the InChIKey of (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?

The InChIKey is QXIDJIQGQGBYKM-VWLOTQADSA-N. The full InChI is InChI=1S/C28H26N6/c1-3-10-21(11-4-1)28-22(20-33(32-28)23-12-5-2-6-13-23)18-30-25-14-9-15-26-24(25)19-31-34(26)27-16-7-8-17-29-27/h1-8,10-13,16-17,19-20,25,30H,9,14-15,18H2/t25-/m0/s1.

What are the key properties of (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?

(4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 446.56 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 26407661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).