N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide

C25H32N4O5 — CID 166156660

IUPACN-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)N[C@@H](C)C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@@H](C)C(=O)CO)C4(C)C)cc12
InChIInChI=1S/C25H32N4O5/c1-12-7-6-8-17-15(12)9-18(28-17)22(32)27-14(3)24(34)29-10-16-20(25(16,4)5)21(29)23(33)26-13(2)19(31)11-30/h6-9,13-14,16,20-21,28,30H,10-11H2,1-5H3,(H,26,33)(H,27,32)/t13-,14-,16-,20-,21-/m0/s1
InChIKeyCRZDFUJEHRVGKD-XAHGZOFNSA-N
MW468.55 g/mol
LogP1.14
Rot. Bonds7

About N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide

N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide (PubChem CID 166156660) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide
PubChem CID166156660
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC NameN-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)N[C@@H](C)C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@@H](C)C(=O)CO)C4(C)C)cc12
InChIInChI=1S/C25H32N4O5/c1-12-7-6-8-17-15(12)9-18(28-17)22(32)27-14(3)24(34)29-10-16-20(25(16,4)5)21(29)23(33)26-13(2)19(31)11-30/h6-9,13-14,16,20-21,28,30H,10-11H2,1-5H3,(H,26,33)(H,27,32)/t13-,14-,16-,20-,21-/m0/s1
InChIKeyCRZDFUJEHRVGKD-XAHGZOFNSA-N
XLogP1.14
TPSA131.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[(1R,2S,5S)-2-[[(3S)-1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 166157236
N-[(1S)-1-cyclopropyl-2-[(1R,2S,5S)-2-[[(3S)-1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-fluoro-1H-indole-2-carboxamide
CID 167331645
N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 177107686
N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-chloro-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 167331582
N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 166156750
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)-6,6-dimethyl-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167203439
N-[(2S)-1-[(1R,2S,5S)-2-[[4-chloro-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 166157186
N-[(2S)-1-[(1R,2S,5S)-6,6-dimethyl-2-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-en-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 177107700
(2S)-2-[[(1R,2S,5S)-3-[(2S)-2-cyclopropyl-2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-1-hydroxypropane-1-sulfonic acid
CID 167331689
N-[(2S)-1-[(2S,4S)-2-[[(3S)-1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl]carbamoyl]-3,3,4-trimethylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide
CID 166157305
sodium (2S)-2-[[(1R,2S,5S)-3-[(2S)-2-cyclopropyl-2-[(4-methyl-1H-indole-2-carbonyl)amino]acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propane-1-sulfonate
CID 177107710

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide (CID 166156660) is N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide is Cc1cccc2[nH]c(C(=O)N[C@@H](C)C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@@H](C)C(=O)CO)C4(C)C)cc12.
What is the InChIKey of N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide?
The InChIKey is CRZDFUJEHRVGKD-XAHGZOFNSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-12-7-6-8-17-15(12)9-18(28-17)22(32)27-14(3)24(34)29-10-16-20(25(16,4)5)21(29)23(33)26-13(2)19(31)11-30/h6-9,13-14,16,20-21,28,30H,10-11H2,1-5H3,(H,26,33)(H,27,32)/t13-,14-,16-,20-,21-/m0/s1.
What are the key properties of N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide?
N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-4-hydroxy-3-oxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl]-4-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166156660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).