4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine

C27H26ClF2N3O2 — CID 151961727

IUPAC4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2c[nH]c3ccc(-c4cncc(OCc5c(F)ccc(F)c5Cl)c4)cc23)CC(C)O1
InChIInChI=1S/C27H26ClF2N3O2/c1-16-12-33(13-17(2)35-16)14-20-10-32-26-6-3-18(8-22(20)26)19-7-21(11-31-9-19)34-15-23-24(29)4-5-25(30)27(23)28/h3-11,16-17,32H,12-15H2,1-2H3
InChIKeyTYUNCCKIFSMGSX-UHFFFAOYSA-N
MW497.97 g/mol
LogP6.35
Rot. Bonds6

About 4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine

4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 151961727) has the molecular formula C27H26ClF2N3O2 and a molecular weight of 497.97 g/mol. Its IUPAC name is 4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine
PubChem CID151961727
Molecular FormulaC27H26ClF2N3O2
Molecular Weight497.97 g/mol
Exact Mass497.17
IUPAC Name4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2c[nH]c3ccc(-c4cncc(OCc5c(F)ccc(F)c5Cl)c4)cc23)CC(C)O1
InChIInChI=1S/C27H26ClF2N3O2/c1-16-12-33(13-17(2)35-16)14-20-10-32-26-6-3-18(8-22(20)26)19-7-21(11-31-9-19)34-15-23-24(29)4-5-25(30)27(23)28/h3-11,16-17,32H,12-15H2,1-2H3
InChIKeyTYUNCCKIFSMGSX-UHFFFAOYSA-N
XLogP6.35
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.97
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine (CID 151961727) is 4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine is CC1CN(Cc2c[nH]c3ccc(-c4cncc(OCc5c(F)ccc(F)c5Cl)c4)cc23)CC(C)O1.
What is the InChIKey of 4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is TYUNCCKIFSMGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2N3O2/c1-16-12-33(13-17(2)35-16)14-20-10-32-26-6-3-18(8-22(20)26)19-7-21(11-31-9-19)34-15-23-24(29)4-5-25(30)27(23)28/h3-11,16-17,32H,12-15H2,1-2H3.
What are the key properties of 4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine?
4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 497.97 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]-1H-indol-3-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 151961727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).