1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide

C18H17F2N3O3 — CID 175906975

IUPAC1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide
SMILESCCOc1cc(N2C(=O)C(C)(C)c3cc(C(N)=O)c(F)cc32)c(F)cn1
InChIInChI=1S/C18H17F2N3O3/c1-4-26-15-7-14(12(20)8-22-15)23-13-6-11(19)9(16(21)24)5-10(13)18(2,3)17(23)25/h5-8H,4H2,1-3H3,(H2,21,24)
InChIKeyIEGPGHLXXAYFJC-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.81
Rot. Bonds4

About 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide

1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide (PubChem CID 175906975) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide
PubChem CID175906975
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide
SMILESCCOc1cc(N2C(=O)C(C)(C)c3cc(C(N)=O)c(F)cc32)c(F)cn1
InChIInChI=1S/C18H17F2N3O3/c1-4-26-15-7-14(12(20)8-22-15)23-13-6-11(19)9(16(21)24)5-10(13)18(2,3)17(23)25/h5-8H,4H2,1-3H3,(H2,21,24)
InChIKeyIEGPGHLXXAYFJC-UHFFFAOYSA-N
XLogP2.81
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide?
The IUPAC name of 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide (CID 175906975) is 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide.
What is the SMILES notation for 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide?
The canonical SMILES for 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide is CCOc1cc(N2C(=O)C(C)(C)c3cc(C(N)=O)c(F)cc32)c(F)cn1.
What is the InChIKey of 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide?
The InChIKey is IEGPGHLXXAYFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-4-26-15-7-14(12(20)8-22-15)23-13-6-11(19)9(16(21)24)5-10(13)18(2,3)17(23)25/h5-8H,4H2,1-3H3,(H2,21,24).
What are the key properties of 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide?
1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-fluoro-4-pyridinyl)-6-fluoro-3,3-dimethyl-2-oxoindole-5-carboxamide is sourced from PubChem (CID 175906975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).