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

C23H22FN5O4 — CID 154679454

IUPAC[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCCC5)nc4)no3)c2cc1F
InChIInChI=1S/C23H22FN5O4/c1-31-8-9-32-20-12-19-15(10-16(20)24)22(27-26-19)21-11-18(28-33-21)14-4-5-17(25-13-14)23(30)29-6-2-3-7-29/h4-5,10-13H,2-3,6-9H2,1H3,(H,26,27)
InChIKeyQXVGHYHBJDMCPA-UHFFFAOYSA-N
MW451.46 g/mol
LogP3.68
Rot. Bonds7

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

[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 154679454) has the molecular formula C23H22FN5O4 and a molecular weight of 451.46 g/mol. Its IUPAC name is [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID154679454
Molecular FormulaC23H22FN5O4
Molecular Weight451.46 g/mol
Exact Mass451.17
IUPAC Name[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCCC5)nc4)no3)c2cc1F
InChIInChI=1S/C23H22FN5O4/c1-31-8-9-32-20-12-19-15(10-16(20)24)22(27-26-19)21-11-18(28-33-21)14-4-5-17(25-13-14)23(30)29-6-2-3-7-29/h4-5,10-13H,2-3,6-9H2,1H3,(H,26,27)
InChIKeyQXVGHYHBJDMCPA-UHFFFAOYSA-N
XLogP3.68
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 53.68
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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Related Compounds

1,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
CID 22978008
2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
CID 9847268
3-Tert-butyl-4-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365462
4-[2-(2-Hydroxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365514
3-Tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365629
4-[2-(2-Methoxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58366140
[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 66829120
US10435405, Example 35
CID 134328076
(6-methoxy-1H-indol-2-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 53621282
(6-methoxy-1H-indol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 53624755
2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
CID 22978061
2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 69371010

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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 154679454) is [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCCC5)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]-pyrrolidin-1-ylmethanone?
The InChIKey is QXVGHYHBJDMCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O4/c1-31-8-9-32-20-12-19-15(10-16(20)24)22(27-26-19)21-11-18(28-33-21)14-4-5-17(25-13-14)23(30)29-6-2-3-7-29/h4-5,10-13H,2-3,6-9H2,1H3,(H,26,27).
What are the key properties of [5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 451.46 g/mol, XLogP of 3.68, 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 154679454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).