N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide

C25H32N4O5 — CID 167532470

IUPACN-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
SMILESCOc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O)C2
InChIInChI=1S/C25H32N4O5/c1-34-21-6-2-4-15-11-17(12-18(15)21)24(32)29-20(10-14-7-8-14)25(33)28-19(22(26)30)13-16-5-3-9-27-23(16)31/h2,4,6,12,14,16,19-20H,3,5,7-11,13H2,1H3,(H2,26,30)(H,27,31)(H,28,33)(H,29,32)/t16-,19-,20?/m0/s1
InChIKeyMRSATRUCUMGYOC-QICOWLOGSA-N
MW468.55 g/mol
LogP0.81
Rot. Bonds10

About N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide

N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide (PubChem CID 167532470) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
PubChem CID167532470
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC NameN-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
SMILESCOc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O)C2
InChIInChI=1S/C25H32N4O5/c1-34-21-6-2-4-15-11-17(12-18(15)21)24(32)29-20(10-14-7-8-14)25(33)28-19(22(26)30)13-16-5-3-9-27-23(16)31/h2,4,6,12,14,16,19-20H,3,5,7-11,13H2,1H3,(H2,26,30)(H,27,31)(H,28,33)(H,29,32)/t16-,19-,20?/m0/s1
InChIKeyMRSATRUCUMGYOC-QICOWLOGSA-N
XLogP0.81
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 167604382
N-[(2R,5S)-5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 163531371
N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride
CID 163687230
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-cyclobutyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162479078
N-[(2S)-1-[[1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloro-1H-indole-2-carboxamide
CID 167523907
N-[(2S)-4-[(3aR,6aR)-5-cyano-1,3-dioxo-3a,4,6,6a-tetrahydrocyclopenta[c]pyrrol-5-yl]-1-cyclopropyl-3-oxobutan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 158507745
N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 163585312
N-[3-cyclopropyl-1-oxo-1-[[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]amino]propan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166505881
N-[1-[[(2S,6R)-8-cyano-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undecan-8-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 158163531
N-[1-[(8-cyano-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undecan-8-yl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 158163532
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-chloro-1H-indole-2-carboxamide
CID 162479164
methyl 2-[[2-[(7-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 175458447

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
The IUPAC name of N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide (CID 167532470) is N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide.
What is the SMILES notation for N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
The canonical SMILES for N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide is COc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O)C2.
What is the InChIKey of N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
The InChIKey is MRSATRUCUMGYOC-QICOWLOGSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-34-21-6-2-4-15-11-17(12-18(15)21)24(32)29-20(10-14-7-8-14)25(33)28-19(22(26)30)13-16-5-3-9-27-23(16)31/h2,4,6,12,14,16,19-20H,3,5,7-11,13H2,1H3,(H2,26,30)(H,27,31)(H,28,33)(H,29,32)/t16-,19-,20?/m0/s1.
What are the key properties of N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 0.81, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide is sourced from PubChem (CID 167532470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).