N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

C22H33ClFN7O3 — CID 58000526

IUPACN-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCN(C)C1CN(c2nc(Cl)nc(NNC(=O)[C@H](CC3CCCC3)CN(O)C=O)c2F)CC12CC2
InChIInChI=1S/C22H33ClFN7O3/c1-29(2)16-11-30(12-22(16)7-8-22)19-17(24)18(25-21(23)26-19)27-28-20(33)15(10-31(34)13-32)9-14-5-3-4-6-14/h13-16,34H,3-12H2,1-2H3,(H,28,33)(H,25,26,27)/t15-,16?/m1/s1
InChIKeyMDDPXBKWEUYOEI-AAFJCEBUSA-N
MW498.00 g/mol
LogP2.29
Rot. Bonds10

About N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000526) has the molecular formula C22H33ClFN7O3 and a molecular weight of 498.00 g/mol. Its IUPAC name is N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000526
Molecular FormulaC22H33ClFN7O3
Molecular Weight498.00 g/mol
Exact Mass497.23
IUPAC NameN-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCN(C)C1CN(c2nc(Cl)nc(NNC(=O)[C@H](CC3CCCC3)CN(O)C=O)c2F)CC12CC2
InChIInChI=1S/C22H33ClFN7O3/c1-29(2)16-11-30(12-22(16)7-8-22)19-17(24)18(25-21(23)26-19)27-28-20(33)15(10-31(34)13-32)9-14-5-3-4-6-14/h13-16,34H,3-12H2,1-2H3,(H,28,33)(H,25,26,27)/t15-,16?/m1/s1
InChIKeyMDDPXBKWEUYOEI-AAFJCEBUSA-N
XLogP2.29
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.00
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide with MolForge

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Related Compounds

[(2R)-3-(2-{2-chloro-6-[(2R)-2,4-dimethyl-1-piperazinyl]-5-fluoro-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl]hydroxyformamide
CID 25265770
N-[(2R)-3-[2-[2-chloro-6-[(2R)-2,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclobutylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000511
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000513
N-[(2R)-3-[2-(2-chloro-5-fluoro-6-pyrrolidin-1-ylpyrimidin-4-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000514
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(2R,3R)-3-(dimethylamino)-2-methylpyrrolidin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000515
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000516
[(2R)-3-{2-[6-(1-azetidinyl)-2-ethyl-5-fluoro-4-pyrimidinyl]hydrazino}-2-(cyclopentylmethyl)-3-oxopropyl]hydroxyformamide
CID 58000517
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000518
N-[(2R)-3-[2-[6-[(4aR,8aS)-4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000519
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000520
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(cyclopropylamino)-2-(difluoromethyl)-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000521
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000522

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 58000526) is N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is CN(C)C1CN(c2nc(Cl)nc(NNC(=O)[C@H](CC3CCCC3)CN(O)C=O)c2F)CC12CC2.
What is the InChIKey of N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is MDDPXBKWEUYOEI-AAFJCEBUSA-N. The full InChI is InChI=1S/C22H33ClFN7O3/c1-29(2)16-11-30(12-22(16)7-8-22)19-17(24)18(25-21(23)26-19)27-28-20(33)15(10-31(34)13-32)9-14-5-3-4-6-14/h13-16,34H,3-12H2,1-2H3,(H,28,33)(H,25,26,27)/t15-,16?/m1/s1.
What are the key properties of N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 498.00 g/mol, XLogP of 2.29, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[2-[2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]heptan-5-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).