N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide

C24H33N3O2 — CID 170203857

IUPACN-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@]2(C)[C@@H]([C@H]1C)C2(C)C
InChIInChI=1S/C24H33N3O2/c1-14(2)11-19(22(29)27-13-24(6)20(15(27)3)23(24,4)5)26-21(28)18-12-16-9-7-8-10-17(16)25-18/h7-10,12,14-15,19-20,25H,11,13H2,1-6H3,(H,26,28)/t15-,19+,20+,24+/m1/s1
InChIKeyNKSAUCPVWARBJL-OKFIXCSWSA-N
MW395.55 g/mol
LogP4.21
Rot. Bonds5

About N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide

N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide (PubChem CID 170203857) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide
PubChem CID170203857
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@]2(C)[C@@H]([C@H]1C)C2(C)C
InChIInChI=1S/C24H33N3O2/c1-14(2)11-19(22(29)27-13-24(6)20(15(27)3)23(24,4)5)26-21(28)18-12-16-9-7-8-10-17(16)25-18/h7-10,12,14-15,19-20,25H,11,13H2,1-6H3,(H,26,28)/t15-,19+,20+,24+/m1/s1
InChIKeyNKSAUCPVWARBJL-OKFIXCSWSA-N
XLogP4.21
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 167203306
N-[(2S)-1-[(2S)-2-[(1-hydroxy-3-methylbutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 170203889
N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-chloro-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 167331638
N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 166157022
N-[1-[4-[(3-chlorophenyl)carbamoyl]-2-cyanopyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 167075435
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
2-[[(2S)-2-(1H-indole-2-carbonylamino)-4-methylpentanoyl]amino]octanediamide
CID 171530236
N-[1-(2-cyano-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 163373492
N-[1-[2-cyano-4-[(2-fluorophenyl)carbamoyl]-4-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 167075761
N-[1-[5-(1H-benzimidazole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-methyl-1-oxopentan-2-yl]-6-fluoro-5-phosphanyl-1H-indole-2-carboxamide
CID 91244855
N-[1-[5-[2-[(2-chloro-4-cyclohexa-1,5-dien-1-ylphenyl)sulfanylamino]acetyl]-1-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 143861469
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide (CID 170203857) is N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide is CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@]2(C)[C@@H]([C@H]1C)C2(C)C.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is NKSAUCPVWARBJL-OKFIXCSWSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-14(2)11-19(22(29)27-13-24(6)20(15(27)3)23(24,4)5)26-21(28)18-12-16-9-7-8-10-17(16)25-18/h7-10,12,14-15,19-20,25H,11,13H2,1-6H3,(H,26,28)/t15-,19+,20+,24+/m1/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide?
N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-[(1S,4R,5S)-1,4,6,6-tetramethyl-3-azabicyclo[3.1.0]hexan-3-yl]pentan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 170203857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).