1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

C23H31N5O3 — CID 72704278

IUPAC1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESC[C@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C23H31N5O3/c1-13(11-23(2,3)4)25-22(31)18-10-14-9-17(14)28(18)19(29)12-27-16-8-6-5-7-15(16)20(26-27)21(24)30/h5-8,13-14,17-18H,9-12H2,1-4H3,(H2,24,30)(H,25,31)/t13-,14-,17-,18+/m1/s1
InChIKeyZASQGDYXOONYBH-DTDBQYNISA-N
MW425.53 g/mol
LogP2.07
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 72704278) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID72704278
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESC[C@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C23H31N5O3/c1-13(11-23(2,3)4)25-22(31)18-10-14-9-17(14)28(18)19(29)12-27-16-8-6-5-7-15(16)20(26-27)21(24)30/h5-8,13-14,17-18H,9-12H2,1-4H3,(H2,24,30)(H,25,31)/t13-,14-,17-,18+/m1/s1
InChIKeyZASQGDYXOONYBH-DTDBQYNISA-N
XLogP2.07
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 72704278) is 1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]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-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is C[C@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is ZASQGDYXOONYBH-DTDBQYNISA-N. The full InChI is InChI=1S/C23H31N5O3/c1-13(11-23(2,3)4)25-22(31)18-10-14-9-17(14)28(18)19(29)12-27-16-8-6-5-7-15(16)20(26-27)21(24)30/h5-8,13-14,17-18H,9-12H2,1-4H3,(H2,24,30)(H,25,31)/t13-,14-,17-,18+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[[(2R)-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 72704278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).