N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide

C23H28N6O4 — CID 118172948

IUPACN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2cc3cn(CC(=O)N4CCOCC4)nc3cc2OC)n1
InChIInChI=1S/C23H28N6O4/c1-3-7-24-21-6-4-5-17(25-21)23(31)26-19-12-16-14-29(27-18(16)13-20(19)32-2)15-22(30)28-8-10-33-11-9-28/h4-6,12-14H,3,7-11,15H2,1-2H3,(H,24,25)(H,26,31)
InChIKeyZVXSVADDFXXOPV-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.37
Rot. Bonds8

About N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide

N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide (PubChem CID 118172948) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide
PubChem CID118172948
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC NameN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2cc3cn(CC(=O)N4CCOCC4)nc3cc2OC)n1
InChIInChI=1S/C23H28N6O4/c1-3-7-24-21-6-4-5-17(25-21)23(31)26-19-12-16-14-29(27-18(16)13-20(19)32-2)15-22(30)28-8-10-33-11-9-28/h4-6,12-14H,3,7-11,15H2,1-2H3,(H,24,25)(H,26,31)
InChIKeyZVXSVADDFXXOPV-UHFFFAOYSA-N
XLogP2.37
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-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-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide (CID 118172948) is N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)Nc2cc3cn(CC(=O)N4CCOCC4)nc3cc2OC)n1.
What is the InChIKey of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is ZVXSVADDFXXOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-3-7-24-21-6-4-5-17(25-21)23(31)26-19-12-16-14-29(27-18(16)13-20(19)32-2)15-22(30)28-8-10-33-11-9-28/h4-6,12-14H,3,7-11,15H2,1-2H3,(H,24,25)(H,26,31).
What are the key properties of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide?
N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 118172948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).