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

C24H33N5O4 — CID 72704475

IUPAC1-[2-[(1R,3S,5R)-3-[[(2S)-1-methoxy-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCOC[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/C24H33N5O4/c1-24(2,3)11-15(13-33-4)26-23(32)19-10-14-9-18(14)29(19)20(30)12-28-17-8-6-5-7-16(17)21(27-28)22(25)31/h5-8,14-15,18-19H,9-13H2,1-4H3,(H2,25,31)(H,26,32)/t14-,15+,18-,19+/m1/s1
InChIKeyWAECYGWSVIXHAF-OHQAAIJDSA-N
MW455.56 g/mol
LogP1.69
Rot. Bonds8

About 1-[2-[(1R,3S,5R)-3-[[(2S)-1-methoxy-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-[[(2S)-1-methoxy-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 72704475) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(2S)-1-methoxy-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-[[(2S)-1-methoxy-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID72704475
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(2S)-1-methoxy-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCOC[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/C24H33N5O4/c1-24(2,3)11-15(13-33-4)26-23(32)19-10-14-9-18(14)29(19)20(30)12-28-17-8-6-5-7-16(17)21(27-28)22(25)31/h5-8,14-15,18-19H,9-13H2,1-4H3,(H2,25,31)(H,26,32)/t14-,15+,18-,19+/m1/s1
InChIKeyWAECYGWSVIXHAF-OHQAAIJDSA-N
XLogP1.69
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[[(2S)-1-methoxy-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-[[(2S)-1-methoxy-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-[[(2S)-1-methoxy-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 72704475) is 1-[2-[(1R,3S,5R)-3-[[(2S)-1-methoxy-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-[[(2S)-1-methoxy-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-[[(2S)-1-methoxy-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is COC[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-[[(2S)-1-methoxy-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is WAECYGWSVIXHAF-OHQAAIJDSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-24(2,3)11-15(13-33-4)26-23(32)19-10-14-9-18(14)29(19)20(30)12-28-17-8-6-5-7-16(17)21(27-28)22(25)31/h5-8,14-15,18-19H,9-13H2,1-4H3,(H2,25,31)(H,26,32)/t14-,15+,18-,19+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(2S)-1-methoxy-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-[[(2S)-1-methoxy-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 1.69, 8 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-[[(2S)-1-methoxy-4,4-dimethylpentan-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 72704475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).