N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide

C28H40FN7O4 — CID 86636936

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide
SMILESCCN1CCN(c2nc(OC)nc(NNC(=O)[C@H](CC3CCCC3)CN(C=O)OCc3ccccc3)c2F)CC1
InChIInChI=1S/C28H40FN7O4/c1-3-34-13-15-35(16-14-34)26-24(29)25(30-28(31-26)39-2)32-33-27(38)23(17-21-9-7-8-10-21)18-36(20-37)40-19-22-11-5-4-6-12-22/h4-6,11-12,20-21,23H,3,7-10,13-19H2,1-2H3,(H,33,38)(H,30,31,32)/t23-/m1/s1
InChIKeyGEDBDVCTCDTUEX-HSZRJFAPSA-N
MW557.67 g/mol
LogP3.00
Rot. Bonds14

About N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide (PubChem CID 86636936) has the molecular formula C28H40FN7O4 and a molecular weight of 557.67 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide
PubChem CID86636936
Molecular FormulaC28H40FN7O4
Molecular Weight557.67 g/mol
Exact Mass557.31
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide
SMILESCCN1CCN(c2nc(OC)nc(NNC(=O)[C@H](CC3CCCC3)CN(C=O)OCc3ccccc3)c2F)CC1
InChIInChI=1S/C28H40FN7O4/c1-3-34-13-15-35(16-14-34)26-24(29)25(30-28(31-26)39-2)32-33-27(38)23(17-21-9-7-8-10-21)18-36(20-37)40-19-22-11-5-4-6-12-22/h4-6,11-12,20-21,23H,3,7-10,13-19H2,1-2H3,(H,33,38)(H,30,31,32)/t23-/m1/s1
InChIKeyGEDBDVCTCDTUEX-HSZRJFAPSA-N
XLogP3.00
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.67
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide 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

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide
CID 86636953
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide
CID 86636951
N-[(2S)-3-[2-[2-chloro-6-(cyclobutylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-phenylmethoxyformamide
CID 87210206
N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide
CID 87210160
N-[(2S)-2-(cyclopentylmethyl)-3-[2-[6-[(3R)-3,4-dimethylpiperazin-1-yl]-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87210152
N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide
CID 87210304
N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87210512
N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87460429
N-[(2R)-3-[2-[5-chloro-3-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-2-fluorophenyl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-phenylmethoxyformamide
CID 86636977
N-[(2R)-3-[2-[3-chloro-6-[4-(dimethylamino)-3,3-dimethylpyrrolidin-1-yl]-5-fluoro-2H-pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-phenylmethoxyformamide
CID 142704777
N-[(2S)-2-(cyclopentylmethyl)-3-[2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87209913
N-[[[2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]amino]methyl]-5-phenylfuran-2-carboxamide
CID 122699037

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide (CID 86636936) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide is CCN1CCN(c2nc(OC)nc(NNC(=O)[C@H](CC3CCCC3)CN(C=O)OCc3ccccc3)c2F)CC1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide?
The InChIKey is GEDBDVCTCDTUEX-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H40FN7O4/c1-3-34-13-15-35(16-14-34)26-24(29)25(30-28(31-26)39-2)32-33-27(38)23(17-21-9-7-8-10-21)18-36(20-37)40-19-22-11-5-4-6-12-22/h4-6,11-12,20-21,23H,3,7-10,13-19H2,1-2H3,(H,33,38)(H,30,31,32)/t23-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide has a molecular weight of 557.67 g/mol, XLogP of 3.00, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide is sourced from PubChem (CID 86636936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).