1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide

C21H23Cl2N5O3 — CID 72709556

IUPAC1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
SMILES[2H]C([2H])([2H])[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C21H23Cl2N5O3/c1-10(13-8-21(13,22)23)25-20(31)16-7-11-6-15(11)28(16)17(29)9-27-14-5-3-2-4-12(14)18(26-27)19(24)30/h2-5,10-11,13,15-16H,6-9H2,1H3,(H2,24,30)(H,25,31)/t10-,11-,13-,15-,16+/m1/s1/i1D3
InChIKeyXHRJLDLLSCUUIL-ZQHWIZQZSA-N
MW467.37 g/mol
LogP1.82
Rot. Bonds7

About 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide

1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide (PubChem CID 72709556) has the molecular formula C21H23Cl2N5O3 and a molecular weight of 467.37 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
PubChem CID72709556
Molecular FormulaC21H23Cl2N5O3
Molecular Weight467.37 g/mol
Exact Mass466.14
IUPAC Name1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
SMILES[2H]C([2H])([2H])[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C21H23Cl2N5O3/c1-10(13-8-21(13,22)23)25-20(31)16-7-11-6-15(11)28(16)17(29)9-27-14-5-3-2-4-12(14)18(26-27)19(24)30/h2-5,10-11,13,15-16H,6-9H2,1H3,(H2,24,30)(H,25,31)/t10-,11-,13-,15-,16+/m1/s1/i1D3
InChIKeyXHRJLDLLSCUUIL-ZQHWIZQZSA-N
XLogP1.82
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide with MolForge

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Related Compounds

1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72710067
1-[2-[(1R,3S,5R)-3-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 72709817
1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichloro-3-methylcyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 131704369
1-[2-[(1R,3S,5R)-3-[[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 90020259
1-[2-[(1R,3S,5R)-3-[[(1S)-2,2-dichloro-3-methylcyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 131704370
1-[2-[(1R,3S,5R)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72721784
1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 118093304
1-[2-[(1R,3S)-3-[(3,3-dimethyl-2-oxobutyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 163942175
(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-N-[(1R)-1-(2,2-dichlorocyclopropyl)ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 131704358
1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 71009548
1-[2-[(1R,3S,5R)-3-[[(1R,3S)-3-methoxycyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72721574
1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
CID 118073417

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide (CID 72709556) is 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide is [2H]C([2H])([2H])[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21)[C@H]1CC1(Cl)Cl.
What is the InChIKey of 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
The InChIKey is XHRJLDLLSCUUIL-ZQHWIZQZSA-N. The full InChI is InChI=1S/C21H23Cl2N5O3/c1-10(13-8-21(13,22)23)25-20(31)16-7-11-6-15(11)28(16)17(29)9-27-14-5-3-2-4-12(14)18(26-27)19(24)30/h2-5,10-11,13,15-16H,6-9H2,1H3,(H2,24,30)(H,25,31)/t10-,11-,13-,15-,16+/m1/s1/i1D3.
What are the key properties of 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide has a molecular weight of 467.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide is sourced from PubChem (CID 72709556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).