N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine

C23H22F3N6O- — CID 142127978

About N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine

N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine (PubChem CID 142127978) has the molecular formula C23H22F3N6O- and a molecular weight of 455.46 g/mol. Its IUPAC name is N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine.

Molecular Properties

• Compound Name: N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine
• PubChem CID: 142127978
• Molecular Formula: C23H22F3N6O-
• Molecular Weight: 455.46 g/mol
• Exact Mass: 455.18
• IUPAC Name: N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine
• SMILES: CC1=C(N2CCOCC2)[N-]C(c2ccccc2C(F)(F)F)N=C1Nc1n[nH]c2ccccc12
• InChI: InChI=1S/C23H22F3N6O/c1-14-19(28-21-16-7-3-5-9-18(16)30-31-21)27-20(29-22(14)32-10-12-33-13-11-32)15-6-2-4-8-17(15)23(24,25)26/h2-9,20H,10-13H2,1H3,(H2,27,28,30,31)/q-1
• InChIKey: CEMJXJFXXDLTAW-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 79.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.46
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine?

The IUPAC name of N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine (CID 142127978) is N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine.

What is the SMILES notation for N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine?

The canonical SMILES for N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine is CC1=C(N2CCOCC2)[N-]C(c2ccccc2C(F)(F)F)N=C1Nc1n[nH]c2ccccc12.

What is the InChIKey of N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine?

The InChIKey is CEMJXJFXXDLTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N6O/c1-14-19(28-21-16-7-3-5-9-18(16)30-31-21)27-20(29-22(14)32-10-12-33-13-11-32)15-6-2-4-8-17(15)23(24,25)26/h2-9,20H,10-13H2,1H3,(H2,27,28,30,31)/q-1.

What are the key properties of N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine?

N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine has a molecular weight of 455.46 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 142127978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).