N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C18H27FN6O3S — CID 58000775

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCSC2)n1
InChIInChI=1S/C18H27FN6O3S/c1-12-20-16(15(19)17(21-12)24-6-7-29-11-24)22-23-18(27)14(9-25(28)10-26)8-13-4-2-3-5-13/h10,13-14,28H,2-9,11H2,1H3,(H,23,27)(H,20,21,22)/t14-/m1/s1
InChIKeyCOUMADFMPPCJEM-CQSZACIVSA-N
MW426.52 g/mol
LogP1.92
Rot. Bonds9

About N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000775) has the molecular formula C18H27FN6O3S and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000775
Molecular FormulaC18H27FN6O3S
Molecular Weight426.52 g/mol
Exact Mass426.18
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCSC2)n1
InChIInChI=1S/C18H27FN6O3S/c1-12-20-16(15(19)17(21-12)24-6-7-29-11-24)22-23-18(27)14(9-25(28)10-26)8-13-4-2-3-5-13/h10,13-14,28H,2-9,11H2,1H3,(H,23,27)(H,20,21,22)/t14-/m1/s1
InChIKeyCOUMADFMPPCJEM-CQSZACIVSA-N
XLogP1.92
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.92
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'}

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Related Compounds

N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3R)-3-methylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 143803878
N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87210178
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87210436
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(2S,3S)-2,3,4-trimethylpiperazin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87453748
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(2S,3S)-2,3,4-trimethylpiperazin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000531
N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 87209993
N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 87209974
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-2-methylsulfanylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000530
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-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[methoxy(methyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87210193
N-[(2R)-3-[2-[2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 89412907
N-[(2R)-3-[2-(6-anilino-5-fluoro-2-methylpyrimidin-4-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000715

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 58000775) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCSC2)n1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is COUMADFMPPCJEM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27FN6O3S/c1-12-20-16(15(19)17(21-12)24-6-7-29-11-24)22-23-18(27)14(9-25(28)10-26)8-13-4-2-3-5-13/h10,13-14,28H,2-9,11H2,1H3,(H,23,27)(H,20,21,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 426.52 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).