ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate

C21H32N4O3 — CID 22866351

IUPACethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate
SMILESCCOC(=O)[C@H](CC(C)C)N(C)C(=O)CCCCn1c(C)nc2cnccc21
InChIInChI=1S/C21H32N4O3/c1-6-28-21(27)19(13-15(2)3)24(5)20(26)9-7-8-12-25-16(4)23-17-14-22-11-10-18(17)25/h10-11,14-15,19H,6-9,12-13H2,1-5H3/t19-/m0/s1
InChIKeyPLXATULOUDNMQT-IBGZPJMESA-N
MW388.51 g/mol
LogP3.35
Rot. Bonds10

About ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate

ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate (PubChem CID 22866351) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate
PubChem CID22866351
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Nameethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate
SMILESCCOC(=O)[C@H](CC(C)C)N(C)C(=O)CCCCn1c(C)nc2cnccc21
InChIInChI=1S/C21H32N4O3/c1-6-28-21(27)19(13-15(2)3)24(5)20(26)9-7-8-12-25-16(4)23-17-14-22-11-10-18(17)25/h10-11,14-15,19H,6-9,12-13H2,1-5H3/t19-/m0/s1
InChIKeyPLXATULOUDNMQT-IBGZPJMESA-N
XLogP3.35
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate 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

(2S)-4-methyl-2-[methyl-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoyl]amino]pentanoic acid
CID 22866402
N-methyl-9-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[9-(2-methylimidazo[4,5-c]pyridin-1-yl)nonanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]nonanamide
CID 57183476
N-methyl-8-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]octanamide
CID 57034860
N-methyl-7-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[7-(2-methylimidazo[4,5-c]pyridin-1-yl)heptanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]heptanamide
CID 57215040
N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide
CID 56994612
(2S)-2-[ethoxycarbonyl-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoyl]amino]-4-methylpentanoic acid
CID 57116228
N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 54221045
ethyl N-[(4S)-2-[(4S)-4-[ethoxycarbonyl-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoyl]amino]-6-methyl-3-oxoheptan-2-yl]oxy-6-methyl-3-oxoheptan-4-yl]-N-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoyl]carbamate
CID 54162017
ethyl (2S)-4-methyl-2-[7-(2-methylimidazo[4,5-c]pyridin-1-yl)heptanoylamino]pentanoate
CID 22866327
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylbutyl]-N-methyl-8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanamide
CID 19419067
ethyl (2S)-4-methyl-2-[8-(2-methylimidazo[4,5-c]pyridin-3-yl)octanoylamino]pentanoate
CID 57264120
4-(2-methylimidazo[4,5-c]pyridin-1-yl)butan-1-amine
CID 19864517

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate?
The IUPAC name of ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate (CID 22866351) is ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate.
What is the SMILES notation for ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate?
The canonical SMILES for ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate is CCOC(=O)[C@H](CC(C)C)N(C)C(=O)CCCCn1c(C)nc2cnccc21.
What is the InChIKey of ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate?
The InChIKey is PLXATULOUDNMQT-IBGZPJMESA-N. The full InChI is InChI=1S/C21H32N4O3/c1-6-28-21(27)19(13-15(2)3)24(5)20(26)9-7-8-12-25-16(4)23-17-14-22-11-10-18(17)25/h10-11,14-15,19H,6-9,12-13H2,1-5H3/t19-/m0/s1.
What are the key properties of ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate?
ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate has a molecular weight of 388.51 g/mol, XLogP of 3.35, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate is sourced from PubChem (CID 22866351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).