N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide

C25H28N6O2S2 — CID 142211863

IUPACN-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide
SMILESO=CN(O)C(CCCc1ncccn1)CSN1CCN(c2ccc(C#Cc3cccs3)cn2)CC1
InChIInChI=1S/C25H28N6O2S2/c32-20-31(33)22(4-1-6-24-26-11-3-12-27-24)19-35-30-15-13-29(14-16-30)25-10-8-21(18-28-25)7-9-23-5-2-17-34-23/h2-3,5,8,10-12,17-18,20,22,33H,1,4,6,13-16,19H2
InChIKeyCZJROZOLLCGXCG-UHFFFAOYSA-N
MW508.67 g/mol
LogP3.34
Rot. Bonds10

About N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide

N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide (PubChem CID 142211863) has the molecular formula C25H28N6O2S2 and a molecular weight of 508.67 g/mol. Its IUPAC name is N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide
PubChem CID142211863
Molecular FormulaC25H28N6O2S2
Molecular Weight508.67 g/mol
Exact Mass508.17
IUPAC NameN-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide
SMILESO=CN(O)C(CCCc1ncccn1)CSN1CCN(c2ccc(C#Cc3cccs3)cn2)CC1
InChIInChI=1S/C25H28N6O2S2/c32-20-31(33)22(4-1-6-24-26-11-3-12-27-24)19-35-30-15-13-29(14-16-30)25-10-8-21(18-28-25)7-9-23-5-2-17-34-23/h2-3,5,8,10-12,17-18,20,22,33H,1,4,6,13-16,19H2
InChIKeyCZJROZOLLCGXCG-UHFFFAOYSA-N
XLogP3.34
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.67
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide with MolForge

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Related Compounds

N-hydroxy-N-(1-methylsulfonyl-5-pyrimidin-2-ylpentan-2-yl)formamide;1-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]piperazine
CID 161290393
N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide
CID 10204522
(2S)-N-hydroxy-2-[[4-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]-5-pyrimidin-2-ylpentanamide
CID 87909935
[[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
CID 159912363
N-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]sulfonyloctan-2-yl]-N-hydroxyformamide
CID 163527589
6-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56817678
N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
CID 11755373
6-[4-(4-thiophen-2-ylbutanoyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 138809073
3-[4-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)benzaldehyde
CID 87581326
N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide
CID 11588997
N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-4-(trimethyl-λ4-sulfanyl)but-3-yn-2-yl]formamide
CID 143249464
2,4-bis[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-1,5-bis(thiophen-2-ylmethoxy)pentan-3-one
CID 151572827

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide?
The IUPAC name of N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide (CID 142211863) is N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide.
What is the SMILES notation for N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide?
The canonical SMILES for N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide is O=CN(O)C(CCCc1ncccn1)CSN1CCN(c2ccc(C#Cc3cccs3)cn2)CC1.
What is the InChIKey of N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide?
The InChIKey is CZJROZOLLCGXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S2/c32-20-31(33)22(4-1-6-24-26-11-3-12-27-24)19-35-30-15-13-29(14-16-30)25-10-8-21(18-28-25)7-9-23-5-2-17-34-23/h2-3,5,8,10-12,17-18,20,22,33H,1,4,6,13-16,19H2.
What are the key properties of N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide?
N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide has a molecular weight of 508.67 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide is sourced from PubChem (CID 142211863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).