N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide

C19H20N4O2 — CID 69069520

IUPACN-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(-c2ccc3c(NC(=O)N4CCCC4)n[nH]c3c2)c1
InChIInChI=1S/C19H20N4O2/c1-25-15-6-4-5-13(11-15)14-7-8-16-17(12-14)21-22-18(16)20-19(24)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H2,20,21,22,24)
InChIKeyLHMMNFTXSBJBBE-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.87
Rot. Bonds3

About N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide

N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 69069520) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID69069520
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(-c2ccc3c(NC(=O)N4CCCC4)n[nH]c3c2)c1
InChIInChI=1S/C19H20N4O2/c1-25-15-6-4-5-13(11-15)14-7-8-16-17(12-14)21-22-18(16)20-19(24)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H2,20,21,22,24)
InChIKeyLHMMNFTXSBJBBE-UHFFFAOYSA-N
XLogP3.87
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide 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-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide (CID 69069520) is N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide is COc1cccc(-c2ccc3c(NC(=O)N4CCCC4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is LHMMNFTXSBJBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-15-6-4-5-13(11-15)14-7-8-16-17(12-14)21-22-18(16)20-19(24)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide?
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 69069520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).