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

C24H24FN5O5 — CID 154679531

IUPAC[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC[C@@H]5CO)nc4)no3)c2cc1F
InChIInChI=1S/C24H24FN5O5/c1-33-7-8-34-21-11-20-16(9-17(21)25)23(28-27-20)22-10-19(29-35-22)14-4-5-18(26-12-14)24(32)30-6-2-3-15(30)13-31/h4-5,9-12,15,31H,2-3,6-8,13H2,1H3,(H,27,28)/t15-/m1/s1
InChIKeyMNOOOXNLKILOFA-OAHLLOKOSA-N
MW481.48 g/mol
LogP3.04
Rot. Bonds8

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

[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 154679531) has the molecular formula C24H24FN5O5 and a molecular weight of 481.48 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-(hydroxymethyl)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-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID154679531
Molecular FormulaC24H24FN5O5
Molecular Weight481.48 g/mol
Exact Mass481.18
IUPAC Name[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC[C@@H]5CO)nc4)no3)c2cc1F
InChIInChI=1S/C24H24FN5O5/c1-33-7-8-34-21-11-20-16(9-17(21)25)23(28-27-20)22-10-19(29-35-22)14-4-5-18(26-12-14)24(32)30-6-2-3-15(30)13-31/h4-5,9-12,15,31H,2-3,6-8,13H2,1H3,(H,27,28)/t15-/m1/s1
InChIKeyMNOOOXNLKILOFA-OAHLLOKOSA-N
XLogP3.04
TPSA126.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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-(hydroxymethyl)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-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 154679531) is [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(hydroxymethyl)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-(hydroxymethyl)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-(hydroxymethyl)pyrrolidin-1-yl]methanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC[C@@H]5CO)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-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MNOOOXNLKILOFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24FN5O5/c1-33-7-8-34-21-11-20-16(9-17(21)25)23(28-27-20)22-10-19(29-35-22)14-4-5-18(26-12-14)24(32)30-6-2-3-15(30)13-31/h4-5,9-12,15,31H,2-3,6-8,13H2,1H3,(H,27,28)/t15-/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-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 481.48 g/mol, XLogP of 3.04, 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-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154679531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).