5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one

C21H19F2N3O — CID 118357861

IUPAC5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one
SMILESN[C@@H](CC1=CC(F)=CC(F)C1)c1ncccc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C21H19F2N3O/c22-15-6-12(7-16(23)11-15)8-18(24)21-17(2-1-5-25-21)13-3-4-19-14(9-13)10-20(27)26-19/h1-6,9,11,16,18H,7-8,10,24H2,(H,26,27)/t16?,18-/m0/s1
InChIKeySZPQKTVLKIMYDZ-DAFXYXGESA-N
MW367.40 g/mol
LogP4.15
Rot. Bonds4

About 5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one

5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one (PubChem CID 118357861) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is 5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one
PubChem CID118357861
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one
SMILESN[C@@H](CC1=CC(F)=CC(F)C1)c1ncccc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C21H19F2N3O/c22-15-6-12(7-16(23)11-15)8-18(24)21-17(2-1-5-25-21)13-3-4-19-14(9-13)10-20(27)26-19/h1-6,9,11,16,18H,7-8,10,24H2,(H,26,27)/t16?,18-/m0/s1
InChIKeySZPQKTVLKIMYDZ-DAFXYXGESA-N
XLogP4.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate
CID 71185134
3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
CID 82482165
2-[2-[2-[[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]amino]ethoxy]phenyl]acetamide
CID 175788089
4-(2-oxo-1,3-dihydroindol-5-yl)-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
CID 134823559
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
5-[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163579784
5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 70201037
5-(6-methoxy-4-methyl-3-pyridinyl)-1,3-dihydroindol-2-one
CID 58200547
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963
3-(2-oxo-1,3-dihydroindol-5-yl)pyridine-4-carboxamide
CID 175778528
4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid
CID 82482166

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one (CID 118357861) is 5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one is N[C@@H](CC1=CC(F)=CC(F)C1)c1ncccc1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one?
The InChIKey is SZPQKTVLKIMYDZ-DAFXYXGESA-N. The full InChI is InChI=1S/C21H19F2N3O/c22-15-6-12(7-16(23)11-15)8-18(24)21-17(2-1-5-25-21)13-3-4-19-14(9-13)10-20(27)26-19/h1-6,9,11,16,18H,7-8,10,24H2,(H,26,27)/t16?,18-/m0/s1.
What are the key properties of 5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one?
5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one has a molecular weight of 367.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S)-1-amino-2-(3,5-difluorocyclohexa-1,3-dien-1-yl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 118357861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).