(2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide

C20H27FN4O3 — CID 25124581

IUPAC(2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1nc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2cc(F)ccc21
InChIInChI=1S/C20H27FN4O3/c1-27-9-2-8-25-18-6-3-14(21)11-16(18)17(23-25)13-24(15-4-5-15)20(26)19-12-22-7-10-28-19/h3,6,11,15,19,22H,2,4-5,7-10,12-13H2,1H3/t19-/m1/s1
InChIKeyQJXWQOGVYVDCGF-LJQANCHMSA-N
MW390.46 g/mol
LogP1.69
Rot. Bonds8

About (2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide (PubChem CID 25124581) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide
PubChem CID25124581
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Name(2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1nc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2cc(F)ccc21
InChIInChI=1S/C20H27FN4O3/c1-27-9-2-8-25-18-6-3-14(21)11-16(18)17(23-25)13-24(15-4-5-15)20(26)19-12-22-7-10-28-19/h3,6,11,15,19,22H,2,4-5,7-10,12-13H2,1H3/t19-/m1/s1
InChIKeyQJXWQOGVYVDCGF-LJQANCHMSA-N
XLogP1.69
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-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 (2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide (CID 25124581) is (2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide is COCCCn1nc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2cc(F)ccc21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide?
The InChIKey is QJXWQOGVYVDCGF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-27-9-2-8-25-18-6-3-14(21)11-16(18)17(23-25)13-24(15-4-5-15)20(26)19-12-22-7-10-28-19/h3,6,11,15,19,22H,2,4-5,7-10,12-13H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 25124581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).