[2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine

C22H19F2N3O — CID 122516324

IUPAC[2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine
SMILESCc1cc2c(Oc3cc(CN)ccn3)cccc2n1Cc1ccc(F)cc1F
InChIInChI=1S/C22H19F2N3O/c1-14-9-18-20(27(14)13-16-5-6-17(23)11-19(16)24)3-2-4-21(18)28-22-10-15(12-25)7-8-26-22/h2-11H,12-13,25H2,1H3
InChIKeyYLEYXQJHVSWUPE-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.92
Rot. Bonds5

About [2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine

[2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine (PubChem CID 122516324) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is [2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine
PubChem CID122516324
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC Name[2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine
SMILESCc1cc2c(Oc3cc(CN)ccn3)cccc2n1Cc1ccc(F)cc1F
InChIInChI=1S/C22H19F2N3O/c1-14-9-18-20(27(14)13-16-5-6-17(23)11-19(16)24)3-2-4-21(18)28-22-10-15(12-25)7-8-26-22/h2-11H,12-13,25H2,1H3
InChIKeyYLEYXQJHVSWUPE-UHFFFAOYSA-N
XLogP4.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine 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 [2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine?
The IUPAC name of [2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine (CID 122516324) is [2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine?
The canonical SMILES for [2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine is Cc1cc2c(Oc3cc(CN)ccn3)cccc2n1Cc1ccc(F)cc1F.
What is the InChIKey of [2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine?
The InChIKey is YLEYXQJHVSWUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c1-14-9-18-20(27(14)13-16-5-6-17(23)11-19(16)24)3-2-4-21(18)28-22-10-15(12-25)7-8-26-22/h2-11H,12-13,25H2,1H3.
What are the key properties of [2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine?
[2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine has a molecular weight of 379.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(2,4-difluorophenyl)methyl]-2-methylindol-4-yl]oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 122516324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).