[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

C26H28FN5O5 — CID 154679527

IUPAC[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC[C@@H]5C(C)(C)O)nc4)no3)c2cc1F
InChIInChI=1S/C26H28FN5O5/c1-26(2,34)23-5-4-8-32(23)25(33)18-7-6-15(14-28-18)19-12-22(37-31-19)24-16-11-17(27)21(36-10-9-35-3)13-20(16)29-30-24/h6-7,11-14,23,34H,4-5,8-10H2,1-3H3,(H,29,30)/t23-/m1/s1
InChIKeyHEJBYGDGQFEYJN-HSZRJFAPSA-N
MW509.54 g/mol
LogP3.82
Rot. Bonds8

About [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 154679527) has the molecular formula C26H28FN5O5 and a molecular weight of 509.54 g/mol. Its IUPAC name is [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID154679527
Molecular FormulaC26H28FN5O5
Molecular Weight509.54 g/mol
Exact Mass509.21
IUPAC Name[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC[C@@H]5C(C)(C)O)nc4)no3)c2cc1F
InChIInChI=1S/C26H28FN5O5/c1-26(2,34)23-5-4-8-32(23)25(33)18-7-6-15(14-28-18)19-12-22(37-31-19)24-16-11-17(27)21(36-10-9-35-3)13-20(16)29-30-24/h6-7,11-14,23,34H,4-5,8-10H2,1-3H3,(H,29,30)/t23-/m1/s1
InChIKeyHEJBYGDGQFEYJN-HSZRJFAPSA-N
XLogP3.82
TPSA126.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone 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 [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (CID 154679527) is [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC[C@@H]5C(C)(C)O)nc4)no3)c2cc1F.
What is the InChIKey of [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HEJBYGDGQFEYJN-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H28FN5O5/c1-26(2,34)23-5-4-8-32(23)25(33)18-7-6-15(14-28-18)19-12-22(37-31-19)24-16-11-17(27)21(36-10-9-35-3)13-20(16)29-30-24/h6-7,11-14,23,34H,4-5,8-10H2,1-3H3,(H,29,30)/t23-/m1/s1.
What are the key properties of [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 509.54 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154679527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).