N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide

C25H33N5O5 — CID 167611884

IUPACN'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide
SMILESCOc1cccc2[nH]c(C(=O)CC(CC(C)C)C(=O)NN(C[C@@H]3CCNC3=O)C(=O)C3CN3)cc12
InChIInChI=1S/C25H33N5O5/c1-14(2)9-16(10-21(31)19-11-17-18(28-19)5-4-6-22(17)35-3)24(33)29-30(25(34)20-12-27-20)13-15-7-8-26-23(15)32/h4-6,11,14-16,20,27-28H,7-10,12-13H2,1-3H3,(H,26,32)(H,29,33)/t15-,16?,20?/m0/s1
InChIKeyLEAQTOMUPKTYFH-SHPPYHEDSA-N
MW483.57 g/mol
LogP1.38
Rot. Bonds10

About N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide

N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide (PubChem CID 167611884) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide
PubChem CID167611884
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC NameN'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide
SMILESCOc1cccc2[nH]c(C(=O)CC(CC(C)C)C(=O)NN(C[C@@H]3CCNC3=O)C(=O)C3CN3)cc12
InChIInChI=1S/C25H33N5O5/c1-14(2)9-16(10-21(31)19-11-17-18(28-19)5-4-6-22(17)35-3)24(33)29-30(25(34)20-12-27-20)13-15-7-8-26-23(15)32/h4-6,11,14-16,20,27-28H,7-10,12-13H2,1-3H3,(H,26,32)(H,29,33)/t15-,16?,20?/m0/s1
InChIKeyLEAQTOMUPKTYFH-SHPPYHEDSA-N
XLogP1.38
TPSA142.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide
CID 159527404
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-propanoylhydrazinyl]pentan-2-yl]-1H-indole-2-carboxamide
CID 167534112
benzyl [(3S)-3-[[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] carbonate
CID 163701815
ditert-butyl [(3S)-3-[[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] phosphate
CID 163898646
N-[(2S)-1-[2-(aziridine-2-carbonyl)-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[2-[(Z)-but-2-enoyl]-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide;4-methoxy-N-[(2S)-4-methyl-1-[2-[(E)-3-methylsulfonylprop-2-enoyl]-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-propanoylhydrazinyl]pentan-2-yl]-1H-indole-2-carboxamide;S-methyl N-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamothioate
CID 167534111
4-methoxy-N-[(2S)-4-methyl-1-[2-[(E)-3-methylsulfonylprop-2-enoyl]-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 165384318
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-[2-[4-(difluoromethoxy)-1H-indol-2-yl]-2-oxoethyl]-4-methylpentanamide
CID 159682143
(2R)-N-[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;[(3S)-3-[[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;3,3,3-trifluoro-2,2-dimethylpropanoic acid
CID 164969450
N-[(2S)-1-[2-(cyanomethyl)-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 165384450
(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-(4-propoxy-1H-indol-2-yl)ethyl]pentanamide
CID 162069987
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-4-methyl-2-[2-oxo-2-(4-propoxy-1H-indol-2-yl)ethyl]pentanamide
CID 162069988
methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanoyl]amino]-2-methyl-3-(2-oxopyrrolidin-3-yl)propanoate
CID 163461418

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide?
The IUPAC name of N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide (CID 167611884) is N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide.
What is the SMILES notation for N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide?
The canonical SMILES for N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide is COc1cccc2[nH]c(C(=O)CC(CC(C)C)C(=O)NN(C[C@@H]3CCNC3=O)C(=O)C3CN3)cc12.
What is the InChIKey of N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide?
The InChIKey is LEAQTOMUPKTYFH-SHPPYHEDSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-14(2)9-16(10-21(31)19-11-17-18(28-19)5-4-6-22(17)35-3)24(33)29-30(25(34)20-12-27-20)13-15-7-8-26-23(15)32/h4-6,11,14-16,20,27-28H,7-10,12-13H2,1-3H3,(H,26,32)(H,29,33)/t15-,16?,20?/m0/s1.
What are the key properties of N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide?
N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide has a molecular weight of 483.57 g/mol, XLogP of 1.38, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]aziridine-2-carbohydrazide is sourced from PubChem (CID 167611884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).