1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one

C17H14F4N2O2 — CID 121361889

IUPAC1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1cc(C(F)F)ccn1
InChIInChI=1S/C17H14F4N2O2/c1-9(24)12-3-2-4-13-14(12)17(20,21)16(25)23(13)8-11-7-10(15(18)19)5-6-22-11/h2-7,9,15,24H,8H2,1H3/t9-/m0/s1
InChIKeyDGNRJASNIVCXRI-VIFPVBQESA-N
MW354.30 g/mol
LogP3.71
Rot. Bonds4

About 1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one

1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one (PubChem CID 121361889) has the molecular formula C17H14F4N2O2 and a molecular weight of 354.30 g/mol. Its IUPAC name is 1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one.

Molecular Properties

Compound Name1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
PubChem CID121361889
Molecular FormulaC17H14F4N2O2
Molecular Weight354.30 g/mol
Exact Mass354.10
IUPAC Name1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1cc(C(F)F)ccn1
InChIInChI=1S/C17H14F4N2O2/c1-9(24)12-3-2-4-13-14(12)17(20,21)16(25)23(13)8-11-7-10(15(18)19)5-6-22-11/h2-7,9,15,24H,8H2,1H3/t9-/m0/s1
InChIKeyDGNRJASNIVCXRI-VIFPVBQESA-N
XLogP3.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one with MolForge

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Related Compounds

1-[(4-bromo-2-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361983
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
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one
CID 121362035
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
CID 121362070
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
1-[(6-chloro-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361823
2-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]-5-fluoropyridine-3-carbonitrile
CID 121361929
1-[(6-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361825
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361851
1-[(2-chloro-4-pyridinyl)methyl]-4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoroindol-2-one
CID 121362184

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one?
The IUPAC name of 1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one (CID 121361889) is 1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one.
What is the SMILES notation for 1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one?
The canonical SMILES for 1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one is C[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1cc(C(F)F)ccn1.
What is the InChIKey of 1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one?
The InChIKey is DGNRJASNIVCXRI-VIFPVBQESA-N. The full InChI is InChI=1S/C17H14F4N2O2/c1-9(24)12-3-2-4-13-14(12)17(20,21)16(25)23(13)8-11-7-10(15(18)19)5-6-22-11/h2-7,9,15,24H,8H2,1H3/t9-/m0/s1.
What are the key properties of 1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one?
1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one has a molecular weight of 354.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one is sourced from PubChem (CID 121361889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).