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

C23H23F3N6O — CID 142127979

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

N-[5-methyl-4-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-yl]-1H-indazol-3-amine (PubChem CID 142127979) has the molecular formula C23H23F3N6O and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[5-methyl-4-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-yl]-1H-indazol-3-amine.

Molecular Properties

• Compound Name: N-[5-methyl-4-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-yl]-1H-indazol-3-amine
• PubChem CID: 142127979
• Molecular Formula: C23H23F3N6O
• Molecular Weight: 456.47 g/mol
• Exact Mass: 456.19
• IUPAC Name: N-[5-methyl-4-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-yl]-1H-indazol-3-amine
• SMILES: CC1=C(Nc2n[nH]c3ccccc23)NC(c2ccccc2C(F)(F)F)N=C1N1CCOCC1
• InChI: InChI=1S/C23H23F3N6O/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/h2-9,20,27H,10-13H2,1H3,(H2,28,30,31)
• InChIKey: PGKORCOWATUHGO-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 77.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.47
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-methyl-4-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-yl]-1H-indazol-3-amine (CID 142127979) is N-[5-methyl-4-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-yl]-1H-indazol-3-amine.

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

The canonical SMILES for N-[5-methyl-4-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-yl]-1H-indazol-3-amine is CC1=C(Nc2n[nH]c3ccccc23)NC(c2ccccc2C(F)(F)F)N=C1N1CCOCC1.

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

The InChIKey is PGKORCOWATUHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O/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/h2-9,20,27H,10-13H2,1H3,(H2,28,30,31).

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

N-[5-methyl-4-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-yl]-1H-indazol-3-amine has a molecular weight of 456.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-4-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-yl]-1H-indazol-3-amine is sourced from PubChem (CID 142127979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).