N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide

C25H34ClN7O — CID 46914479

IUPACN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide
SMILESCCCN1CCN(Cc2ccc(CC(=O)NN(CC(C)C)c3nc(C#N)ncc3Cl)cc2)CC1
InChIInChI=1S/C25H34ClN7O/c1-4-9-31-10-12-32(13-11-31)18-21-7-5-20(6-8-21)14-24(34)30-33(17-19(2)3)25-22(26)16-28-23(15-27)29-25/h5-8,16,19H,4,9-14,17-18H2,1-3H3,(H,30,34)
InChIKeyBCTYCEMPXBTURB-UHFFFAOYSA-N
MW484.05 g/mol
LogP3.27
Rot. Bonds10

About N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide

N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 46914479) has the molecular formula C25H34ClN7O and a molecular weight of 484.05 g/mol. Its IUPAC name is N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide
PubChem CID46914479
Molecular FormulaC25H34ClN7O
Molecular Weight484.05 g/mol
Exact Mass483.25
IUPAC NameN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide
SMILESCCCN1CCN(Cc2ccc(CC(=O)NN(CC(C)C)c3nc(C#N)ncc3Cl)cc2)CC1
InChIInChI=1S/C25H34ClN7O/c1-4-9-31-10-12-32(13-11-31)18-21-7-5-20(6-8-21)14-24(34)30-33(17-19(2)3)25-22(26)16-28-23(15-27)29-25/h5-8,16,19H,4,9-14,17-18H2,1-3H3,(H,30,34)
InChIKeyBCTYCEMPXBTURB-UHFFFAOYSA-N
XLogP3.27
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.05
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide (CID 46914479) is N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide is CCCN1CCN(Cc2ccc(CC(=O)NN(CC(C)C)c3nc(C#N)ncc3Cl)cc2)CC1.
What is the InChIKey of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is BCTYCEMPXBTURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN7O/c1-4-9-31-10-12-32(13-11-31)18-21-7-5-20(6-8-21)14-24(34)30-33(17-19(2)3)25-22(26)16-28-23(15-27)29-25/h5-8,16,19H,4,9-14,17-18H2,1-3H3,(H,30,34).
What are the key properties of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide?
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 484.05 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-[(4-propylpiperazin-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 46914479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).