[2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine

C22H19F2N3O — CID 122516293

IUPAC[2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine
SMILESCc1cn(Cc2ccc(F)cc2F)c2cccc(Oc3cc(CN)ccn3)c12
InChIInChI=1S/C22H19F2N3O/c1-14-12-27(13-16-5-6-17(23)10-18(16)24)19-3-2-4-20(22(14)19)28-21-9-15(11-25)7-8-26-21/h2-10,12H,11,13,25H2,1H3
InChIKeyYTFMTTFTWAWXCI-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.92
Rot. Bonds5

About [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine

[2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine (PubChem CID 122516293) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine
PubChem CID122516293
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC Name[2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine
SMILESCc1cn(Cc2ccc(F)cc2F)c2cccc(Oc3cc(CN)ccn3)c12
InChIInChI=1S/C22H19F2N3O/c1-14-12-27(13-16-5-6-17(23)10-18(16)24)19-3-2-4-20(22(14)19)28-21-9-15(11-25)7-8-26-21/h2-10,12H,11,13,25H2,1H3
InChIKeyYTFMTTFTWAWXCI-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

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine?
The IUPAC name of [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine (CID 122516293) is [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine?
The canonical SMILES for [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine is Cc1cn(Cc2ccc(F)cc2F)c2cccc(Oc3cc(CN)ccn3)c12.
What is the InChIKey of [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine?
The InChIKey is YTFMTTFTWAWXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c1-14-12-27(13-16-5-6-17(23)10-18(16)24)19-3-2-4-20(22(14)19)28-21-9-15(11-25)7-8-26-21/h2-10,12H,11,13,25H2,1H3.
What are the key properties of [2-[1-[(2,4-difluorophenyl)methyl]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine?
[2-[1-[(2,4-difluorophenyl)methyl]-3-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]-3-methylindol-4-yl]oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 122516293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).