6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide

C15H15ClN6O2 — CID 166323746

IUPAC6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide
SMILESCCCc1cc(=O)[nH]c(NNC(=O)c2c(Cl)ccc3cn[nH]c23)n1
InChIInChI=1S/C15H15ClN6O2/c1-2-3-9-6-11(23)19-15(18-9)22-21-14(24)12-10(16)5-4-8-7-17-20-13(8)12/h4-7H,2-3H2,1H3,(H,17,20)(H,21,24)(H2,18,19,22,23)
InChIKeyXYZMDYIVXGLCRN-UHFFFAOYSA-N
MW346.78 g/mol
LogP2.01
Rot. Bonds5

About 6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide

6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide (PubChem CID 166323746) has the molecular formula C15H15ClN6O2 and a molecular weight of 346.78 g/mol. Its IUPAC name is 6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide.

Molecular Properties

Compound Name6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide
PubChem CID166323746
Molecular FormulaC15H15ClN6O2
Molecular Weight346.78 g/mol
Exact Mass346.09
IUPAC Name6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide
SMILESCCCc1cc(=O)[nH]c(NNC(=O)c2c(Cl)ccc3cn[nH]c23)n1
InChIInChI=1S/C15H15ClN6O2/c1-2-3-9-6-11(23)19-15(18-9)22-21-14(24)12-10(16)5-4-8-7-17-20-13(8)12/h4-7H,2-3H2,1H3,(H,17,20)(H,21,24)(H2,18,19,22,23)
InChIKeyXYZMDYIVXGLCRN-UHFFFAOYSA-N
XLogP2.01
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide 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 6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide?
The IUPAC name of 6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide (CID 166323746) is 6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide.
What is the SMILES notation for 6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide?
The canonical SMILES for 6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide is CCCc1cc(=O)[nH]c(NNC(=O)c2c(Cl)ccc3cn[nH]c23)n1.
What is the InChIKey of 6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide?
The InChIKey is XYZMDYIVXGLCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O2/c1-2-3-9-6-11(23)19-15(18-9)22-21-14(24)12-10(16)5-4-8-7-17-20-13(8)12/h4-7H,2-3H2,1H3,(H,17,20)(H,21,24)(H2,18,19,22,23).
What are the key properties of 6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide?
6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide has a molecular weight of 346.78 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1H-indazole-7-carbohydrazide is sourced from PubChem (CID 166323746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).