N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine

C24H21F4N5O — CID 123886296

About N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine

N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 123886296) has the molecular formula C24H21F4N5O and a molecular weight of 471.46 g/mol. Its IUPAC name is N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

• Compound Name: N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
• PubChem CID: 123886296
• Molecular Formula: C24H21F4N5O
• Molecular Weight: 471.46 g/mol
• Exact Mass: 471.17
• IUPAC Name: N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
• SMILES: Fc1cncc(-c2ccc3c(c2)c(CNc2ccc(C(F)(F)F)nc2)nn3C2CCCCO2)c1
• InChI: InChI=1S/C24H21F4N5O/c25-17-9-16(11-29-12-17)15-4-6-21-19(10-15)20(32-33(21)23-3-1-2-8-34-23)14-30-18-5-7-22(31-13-18)24(26,27)28/h4-7,9-13,23,30H,1-3,8,14H2
• InChIKey: DTJKEVINZKRGKQ-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.46
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?

The IUPAC name of N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine (CID 123886296) is N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine.

What is the SMILES notation for N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?

The canonical SMILES for N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine is Fc1cncc(-c2ccc3c(c2)c(CNc2ccc(C(F)(F)F)nc2)nn3C2CCCCO2)c1.

What is the InChIKey of N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?

The InChIKey is DTJKEVINZKRGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O/c25-17-9-16(11-29-12-17)15-4-6-21-19(10-15)20(32-33(21)23-3-1-2-8-34-23)14-30-18-5-7-22(31-13-18)24(26,27)28/h4-7,9-13,23,30H,1-3,8,14H2.

What are the key properties of N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?

N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 471.46 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(5-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 123886296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).