3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one

C19H15F2N3O2 — CID 121362035

IUPAC3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1ccc2ncccc2n1
InChIInChI=1S/C19H15F2N3O2/c1-11(25)13-4-2-6-16-17(13)19(20,21)18(26)24(16)10-12-7-8-14-15(23-12)5-3-9-22-14/h2-9,11,25H,10H2,1H3/t11-/m0/s1
InChIKeyRRSIYAACVPYTGD-NSHDSACASA-N
MW355.34 g/mol
LogP3.32
Rot. Bonds3

About 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one

3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one (PubChem CID 121362035) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one
PubChem CID121362035
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1ccc2ncccc2n1
InChIInChI=1S/C19H15F2N3O2/c1-11(25)13-4-2-6-16-17(13)19(20,21)18(26)24(16)10-12-7-8-14-15(23-12)5-3-9-22-14/h2-9,11,25H,10H2,1H3/t11-/m0/s1
InChIKeyRRSIYAACVPYTGD-NSHDSACASA-N
XLogP3.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
CID 121362070
1-[(4-bromo-2-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361983
1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361889
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one
CID 121361922
6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile
CID 121362151
3,3-difluoro-1-[(2-fluoro-4-pyridinyl)methyl]-4-[(1R)-1-hydroxyethyl]indol-2-one
CID 121362144
3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361942
1-[(6-chloro-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361823
1-[(6-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361825
4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]indol-2-one
CID 121362099
4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
CID 121386305
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361851

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one?
The IUPAC name of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one (CID 121362035) is 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one.
What is the SMILES notation for 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one?
The canonical SMILES for 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one is C[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1ccc2ncccc2n1.
What is the InChIKey of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one?
The InChIKey is RRSIYAACVPYTGD-NSHDSACASA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-11(25)13-4-2-6-16-17(13)19(20,21)18(26)24(16)10-12-7-8-14-15(23-12)5-3-9-22-14/h2-9,11,25H,10H2,1H3/t11-/m0/s1.
What are the key properties of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one?
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one has a molecular weight of 355.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one is sourced from PubChem (CID 121362035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).