(1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate

C18H12N4O2 — CID 71899549

IUPAC(1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate
SMILESN#Cc1c(COC(=O)c2ccc3cn[nH]c3c2)cn2ccccc12
InChIInChI=1S/C18H12N4O2/c19-8-15-14(10-22-6-2-1-3-17(15)22)11-24-18(23)12-4-5-13-9-20-21-16(13)7-12/h1-7,9-10H,11H2,(H,20,21)
InChIKeyXZSCPQKOWVUXQB-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.04
Rot. Bonds3

About (1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate

(1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate (PubChem CID 71899549) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate.

Molecular Properties

Compound Name(1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate
PubChem CID71899549
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name(1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate
SMILESN#Cc1c(COC(=O)c2ccc3cn[nH]c3c2)cn2ccccc12
InChIInChI=1S/C18H12N4O2/c19-8-15-14(10-22-6-2-1-3-17(15)22)11-24-18(23)12-4-5-13-9-20-21-16(13)7-12/h1-7,9-10H,11H2,(H,20,21)
InChIKeyXZSCPQKOWVUXQB-UHFFFAOYSA-N
XLogP3.04
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate 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 (1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate?
The IUPAC name of (1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate (CID 71899549) is (1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate.
What is the SMILES notation for (1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate?
The canonical SMILES for (1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate is N#Cc1c(COC(=O)c2ccc3cn[nH]c3c2)cn2ccccc12.
What is the InChIKey of (1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate?
The InChIKey is XZSCPQKOWVUXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c19-8-15-14(10-22-6-2-1-3-17(15)22)11-24-18(23)12-4-5-13-9-20-21-16(13)7-12/h1-7,9-10H,11H2,(H,20,21).
What are the key properties of (1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate?
(1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate has a molecular weight of 316.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanoindolizin-2-yl)methyl 1H-indazole-6-carboxylate is sourced from PubChem (CID 71899549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).