N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C27H24F3N5O4 — CID 175664738

About N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 175664738) has the molecular formula C27H24F3N5O4 and a molecular weight of 542.53 g/mol. Its IUPAC name is N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 175664738
• Molecular Formula: C27H24F3N5O4
• Molecular Weight: 542.53 g/mol
• Exact Mass: 542.20
• IUPAC Name: N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: [2H]C([2H])([2H])Oc1ncc(-c2ccc3c(C(=O)NC4CC4)n[nH]c3c2)cc1C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1
• InChI: InChI=1S/C27H24F3N5O4/c1-14(15-4-3-5-19(10-15)39-27(28,29)30)32-24(36)21-11-17(13-31-26(21)38-2)16-6-9-20-22(12-16)34-35-23(20)25(37)33-18-7-8-18/h3-6,9-14,18H,7-8H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)/t14-/m1/s1/i2D3
• InChIKey: NNUAYDYXHNOABT-ROXCVRLESA-N
• XLogP: 4.92
• TPSA: 118.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.53
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 175664738) is N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide is [2H]C([2H])([2H])Oc1ncc(-c2ccc3c(C(=O)NC4CC4)n[nH]c3c2)cc1C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1.

What is the InChIKey of N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is NNUAYDYXHNOABT-ROXCVRLESA-N. The full InChI is InChI=1S/C27H24F3N5O4/c1-14(15-4-3-5-19(10-15)39-27(28,29)30)32-24(36)21-11-17(13-31-26(21)38-2)16-6-9-20-22(12-16)34-35-23(20)25(37)33-18-7-8-18/h3-6,9-14,18H,7-8H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)/t14-/m1/s1/i2D3.

What are the key properties of N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 542.53 g/mol, XLogP of 4.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 175664738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).