1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

C24H28F3N5O4 — CID 131709552

About 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 131709552) has the molecular formula C24H28F3N5O4 and a molecular weight of 507.51 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
• PubChem CID: 131709552
• Molecular Formula: C24H28F3N5O4
• Molecular Weight: 507.51 g/mol
• Exact Mass: 507.21
• IUPAC Name: 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
• SMILES: CO[C@]1(C(F)(F)F)CCCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc32)C1
• InChI: InChI=1S/C24H28F3N5O4/c1-36-23(24(25,26)27)8-4-5-14(11-23)29-22(35)18-10-13-9-17(13)32(18)19(33)12-31-16-7-3-2-6-15(16)20(30-31)21(28)34/h2-3,6-7,13-14,17-18H,4-5,8-12H2,1H3,(H2,28,34)(H,29,35)/t13-,14?,17-,18+,23-/m1/s1
• InChIKey: CDEKBDBXYMDXPY-MEQUUVGESA-N
• XLogP: 2.13
• TPSA: 119.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.51
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 131709552) is 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is CO[C@]1(C(F)(F)F)CCCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.

What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

The InChIKey is CDEKBDBXYMDXPY-MEQUUVGESA-N. The full InChI is InChI=1S/C24H28F3N5O4/c1-36-23(24(25,26)27)8-4-5-14(11-23)29-22(35)18-10-13-9-17(13)32(18)19(33)12-31-16-7-3-2-6-15(16)20(30-31)21(28)34/h2-3,6-7,13-14,17-18H,4-5,8-12H2,1H3,(H2,28,34)(H,29,35)/t13-,14?,17-,18+,23-/m1/s1.

What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 507.51 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 131709552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).