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

C23H21F2N5O4 — CID 154679599

IUPAC[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC[C@@H](F)C5)nc4)no3)c2cc1F
InChIInChI=1S/C23H21F2N5O4/c1-32-6-7-33-20-10-19-15(8-16(20)25)22(28-27-19)21-9-18(29-34-21)13-2-3-17(26-11-13)23(31)30-5-4-14(24)12-30/h2-3,8-11,14H,4-7,12H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyLFXKNIGPSTUFMK-CQSZACIVSA-N
MW469.45 g/mol
LogP3.63
Rot. Bonds7

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

[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone (PubChem CID 154679599) has the molecular formula C23H21F2N5O4 and a molecular weight of 469.45 g/mol. Its IUPAC name is [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(3R)-3-fluoropyrrolidin-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]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
PubChem CID154679599
Molecular FormulaC23H21F2N5O4
Molecular Weight469.45 g/mol
Exact Mass469.16
IUPAC Name[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC[C@@H](F)C5)nc4)no3)c2cc1F
InChIInChI=1S/C23H21F2N5O4/c1-32-6-7-33-20-10-19-15(8-16(20)25)22(28-27-19)21-9-18(29-34-21)13-2-3-17(26-11-13)23(31)30-5-4-14(24)12-30/h2-3,8-11,14H,4-7,12H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyLFXKNIGPSTUFMK-CQSZACIVSA-N
XLogP3.63
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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]-[(3R)-3-fluoropyrrolidin-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]-[(3R)-3-fluoropyrrolidin-1-yl]methanone (CID 154679599) is [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(3R)-3-fluoropyrrolidin-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]-[(3R)-3-fluoropyrrolidin-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]-[(3R)-3-fluoropyrrolidin-1-yl]methanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC[C@@H](F)C5)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]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The InChIKey is LFXKNIGPSTUFMK-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21F2N5O4/c1-32-6-7-33-20-10-19-15(8-16(20)25)22(28-27-19)21-9-18(29-34-21)13-2-3-17(26-11-13)23(31)30-5-4-14(24)12-30/h2-3,8-11,14H,4-7,12H2,1H3,(H,27,28)/t14-/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]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone has a molecular weight of 469.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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]-[(3R)-3-fluoropyrrolidin-1-yl]methanone is sourced from PubChem (CID 154679599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).