2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine

C24H23F2N9 — CID 146746253

About 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine

2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine (PubChem CID 146746253) has the molecular formula C24H23F2N9 and a molecular weight of 475.51 g/mol. Its IUPAC name is 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine.

Molecular Properties

• Compound Name: 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine
• PubChem CID: 146746253
• Molecular Formula: C24H23F2N9
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.20
• IUPAC Name: 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine
• SMILES: CC(Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3c(F)cccc23)nc1N)c1ccn(C)n1
• InChI: InChI=1S/C24H23F2N9/c1-13(18-10-11-34(2)32-18)29-20-22(27)30-24(31-23(20)28)19-15-7-5-9-17(26)21(15)35(33-19)12-14-6-3-4-8-16(14)25/h3-11,13,29H,12H2,1-2H3,(H4,27,28,30,31)
• InChIKey: RMBJSMCTGDOUMZ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 125.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine?

The IUPAC name of 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine (CID 146746253) is 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine.

What is the SMILES notation for 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine?

The canonical SMILES for 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine is CC(Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3c(F)cccc23)nc1N)c1ccn(C)n1.

What is the InChIKey of 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine?

The InChIKey is RMBJSMCTGDOUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N9/c1-13(18-10-11-34(2)32-18)29-20-22(27)30-24(31-23(20)28)19-15-7-5-9-17(26)21(15)35(33-19)12-14-6-3-4-8-16(14)25/h3-11,13,29H,12H2,1-2H3,(H4,27,28,30,31).

What are the key properties of 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine?

2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine has a molecular weight of 475.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 146746253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).