4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one

C26H26F2N4O — CID 143869724

IUPAC4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one
SMILESCCCN1CC(c2c[nH]c3cc(-n4ccc(-c5ccc(C(C)(F)F)nc5)cc4=O)ccc23)C1
InChIInChI=1S/C26H26F2N4O/c1-3-9-31-15-19(16-31)22-14-29-23-12-20(5-6-21(22)23)32-10-8-17(11-25(32)33)18-4-7-24(30-13-18)26(2,27)28/h4-8,10-14,19,29H,3,9,15-16H2,1-2H3
InChIKeyHYXQSSXHRJYRSQ-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.30
Rot. Bonds6

About 4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one

4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one (PubChem CID 143869724) has the molecular formula C26H26F2N4O and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one
PubChem CID143869724
Molecular FormulaC26H26F2N4O
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one
SMILESCCCN1CC(c2c[nH]c3cc(-n4ccc(-c5ccc(C(C)(F)F)nc5)cc4=O)ccc23)C1
InChIInChI=1S/C26H26F2N4O/c1-3-9-31-15-19(16-31)22-14-29-23-12-20(5-6-21(22)23)32-10-8-17(11-25(32)33)18-4-7-24(30-13-18)26(2,27)28/h4-8,10-14,19,29H,3,9,15-16H2,1-2H3
InChIKeyHYXQSSXHRJYRSQ-UHFFFAOYSA-N
XLogP5.30
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one with MolForge

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Related Compounds

Cinnamoyl tryptamine
CID 823206
3-(pyridin-4-yl)-1H-indol-6-amine
CID 44410928
N-[2-(1H-Indol-3-yl)ethyl]-N-methylacetamide
CID 383154
1-[4-(1H-indol-3-yl)piperidino]ethan-1-one
CID 2728359
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(1H-indol-3-yl)-propionamide
CID 11625278
3-(4-(4-(4-(4-methyl-2-oxopyridin-1(2H)-yl)phenyl)piperazin-1-yl)butyl)-1H-indole-5-carbonitrile
CID 118191015
3-(3-(4-(4-(4-methyl-2-oxopyridin-1(2H)-yl)phenyl)piperazin-1-yl)propyl)-1H-indole-5-carbonitrile
CID 118191016
(E)-N-[5-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 132942960
(E)-N-[5-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]anilino]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 134562941
1-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]azetidine-3-carboxamide
CID 135230884
(E)-N-[7-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]heptyl]-3-pyridin-3-ylprop-2-enamide
CID 145100143
2,2,2-Trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 384618

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one?
The IUPAC name of 4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one (CID 143869724) is 4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one.
What is the SMILES notation for 4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one?
The canonical SMILES for 4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one is CCCN1CC(c2c[nH]c3cc(-n4ccc(-c5ccc(C(C)(F)F)nc5)cc4=O)ccc23)C1.
What is the InChIKey of 4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one?
The InChIKey is HYXQSSXHRJYRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O/c1-3-9-31-15-19(16-31)22-14-29-23-12-20(5-6-21(22)23)32-10-8-17(11-25(32)33)18-4-7-24(30-13-18)26(2,27)28/h4-8,10-14,19,29H,3,9,15-16H2,1-2H3.
What are the key properties of 4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one?
4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one has a molecular weight of 448.52 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[3-(1-propylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one is sourced from PubChem (CID 143869724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).