N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

C20H30ClFN6O4 — CID 58000541

IUPACN-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCC1(C)CN(c2nc(Cl)nc(NNC(=O)[C@H](CC3CCCC3)CN(O)C=O)c2F)C[C@H]1O
InChIInChI=1S/C20H30ClFN6O4/c1-20(2)10-27(9-14(20)30)17-15(22)16(23-19(21)24-17)25-26-18(31)13(8-28(32)11-29)7-12-5-3-4-6-12/h11-14,30,32H,3-10H2,1-2H3,(H,26,31)(H,23,24,25)/t13-,14-/m1/s1
InChIKeyFGZCPNAPXMWGMS-ZIAGYGMSSA-N
MW472.95 g/mol
LogP1.96
Rot. Bonds9

About N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000541) has the molecular formula C20H30ClFN6O4 and a molecular weight of 472.95 g/mol. Its IUPAC name is N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000541
Molecular FormulaC20H30ClFN6O4
Molecular Weight472.95 g/mol
Exact Mass472.20
IUPAC NameN-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCC1(C)CN(c2nc(Cl)nc(NNC(=O)[C@H](CC3CCCC3)CN(O)C=O)c2F)C[C@H]1O
InChIInChI=1S/C20H30ClFN6O4/c1-20(2)10-27(9-14(20)30)17-15(22)16(23-19(21)24-17)25-26-18(31)13(8-28(32)11-29)7-12-5-3-4-6-12/h11-14,30,32H,3-10H2,1-2H3,(H,26,31)(H,23,24,25)/t13-,14-/m1/s1
InChIKeyFGZCPNAPXMWGMS-ZIAGYGMSSA-N
XLogP1.96
TPSA130.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 51.96
H-Bond Donors ≤ 54
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-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-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-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-[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)-3-[2-[2-chloro-5-fluoro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000522
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-(fluoromethyl)-6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000523
[(2R)-3-(2-{2-chloro-6-[7-(dimethylamino)-5-azaspiro[2.4]hept-5-yl]-5-fluoro-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl]hydroxyformamide
CID 58000526
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000527
N-[(2R)-3-[2-[2-chloro-6-(dimethylamino)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000528

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 58000541) is N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is CC1(C)CN(c2nc(Cl)nc(NNC(=O)[C@H](CC3CCCC3)CN(O)C=O)c2F)C[C@H]1O.
What is the InChIKey of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is FGZCPNAPXMWGMS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H30ClFN6O4/c1-20(2)10-27(9-14(20)30)17-15(22)16(23-19(21)24-17)25-26-18(31)13(8-28(32)11-29)7-12-5-3-4-6-12/h11-14,30,32H,3-10H2,1-2H3,(H,26,31)(H,23,24,25)/t13-,14-/m1/s1.
What are the key properties of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 472.95 g/mol, XLogP of 1.96, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).