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

C25H28FN5O4 — CID 155067372

IUPAC2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCC[C@@H]5C(C)(C)O)nc4)no3)c2cc1F
InChIInChI=1S/C25H28FN5O4/c1-25(2,32)22-5-4-8-31(22)23-7-6-15(14-27-23)18-12-21(35-30-18)24-16-11-17(26)20(34-10-9-33-3)13-19(16)28-29-24/h6-7,11-14,22,32H,4-5,8-10H2,1-3H3,(H,28,29)/t22-/m1/s1
InChIKeyPGLVNZXTURMTBT-JOCHJYFZSA-N
MW481.53 g/mol
LogP4.18
Rot. Bonds8

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

2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 155067372) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is 2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID155067372
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Name2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCC[C@@H]5C(C)(C)O)nc4)no3)c2cc1F
InChIInChI=1S/C25H28FN5O4/c1-25(2,32)22-5-4-8-31(22)23-7-6-15(14-27-23)18-12-21(35-30-18)24-16-11-17(26)20(34-10-9-33-3)13-19(16)28-29-24/h6-7,11-14,22,32H,4-5,8-10H2,1-3H3,(H,28,29)/t22-/m1/s1
InChIKeyPGLVNZXTURMTBT-JOCHJYFZSA-N
XLogP4.18
TPSA109.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol (CID 155067372) is 2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCC[C@@H]5C(C)(C)O)nc4)no3)c2cc1F.
What is the InChIKey of 2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is PGLVNZXTURMTBT-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-25(2,32)22-5-4-8-31(22)23-7-6-15(14-27-23)18-12-21(35-30-18)24-16-11-17(26)20(34-10-9-33-3)13-19(16)28-29-24/h6-7,11-14,22,32H,4-5,8-10H2,1-3H3,(H,28,29)/t22-/m1/s1.
What are the key properties of 2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol?
2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 481.53 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 155067372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).