1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine

C26H32FN5 — CID 45212386

About 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine

1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine (PubChem CID 45212386) has the molecular formula C26H32FN5 and a molecular weight of 433.58 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine.

Molecular Properties

• Compound Name: 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine
• PubChem CID: 45212386
• Molecular Formula: C26H32FN5
• Molecular Weight: 433.58 g/mol
• Exact Mass: 433.26
• IUPAC Name: 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine
• SMILES: CC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC2CCN(Cc3ccccn3)CC2)C1
• InChI: InChI=1S/C26H32FN5/c1-26(2)15-24(23-17-29-32(25(23)16-26)22-8-5-6-19(27)14-22)30-20-9-12-31(13-10-20)18-21-7-3-4-11-28-21/h3-8,11,14,17,20,24,30H,9-10,12-13,15-16,18H2,1-2H3
• InChIKey: RPAFOBCIEZOKOW-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.58
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine?

The IUPAC name of 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine (CID 45212386) is 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine.

What is the SMILES notation for 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine?

The canonical SMILES for 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine is CC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC2CCN(Cc3ccccn3)CC2)C1.

What is the InChIKey of 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine?

The InChIKey is RPAFOBCIEZOKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5/c1-26(2)15-24(23-17-29-32(25(23)16-26)22-8-5-6-19(27)14-22)30-20-9-12-31(13-10-20)18-21-7-3-4-11-28-21/h3-8,11,14,17,20,24,30H,9-10,12-13,15-16,18H2,1-2H3.

What are the key properties of 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine?

1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine has a molecular weight of 433.58 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine is sourced from PubChem (CID 45212386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).