3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine

C22H23F2N5O — CID 123857364

IUPAC3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccc(N3CCNCC3)nc2)cnc1N)c1cc(F)ccc1F
InChIInChI=1S/C22H23F2N5O/c1-14(18-11-17(23)3-4-19(18)24)30-20-10-16(13-28-22(20)25)15-2-5-21(27-12-15)29-8-6-26-7-9-29/h2-5,10-14,26H,6-9H2,1H3,(H2,25,28)
InChIKeyKOSDSAOAYHQJIX-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.55
Rot. Bonds5

About 3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine

3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine (PubChem CID 123857364) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
PubChem CID123857364
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccc(N3CCNCC3)nc2)cnc1N)c1cc(F)ccc1F
InChIInChI=1S/C22H23F2N5O/c1-14(18-11-17(23)3-4-19(18)24)30-20-10-16(13-28-22(20)25)15-2-5-21(27-12-15)29-8-6-26-7-9-29/h2-5,10-14,26H,6-9H2,1H3,(H2,25,28)
InChIKeyKOSDSAOAYHQJIX-UHFFFAOYSA-N
XLogP3.55
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine with MolForge

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Related Compounds

Envonalkib
CID 76899983
U 101958
CID 5615
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
N~3~-[3-(5-Methoxypyridin-3-YL)benzyl]pyridine-2,3-diamine
CID 11500493
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine (CID 123857364) is 3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine is CC(Oc1cc(-c2ccc(N3CCNCC3)nc2)cnc1N)c1cc(F)ccc1F.
What is the InChIKey of 3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine?
The InChIKey is KOSDSAOAYHQJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c1-14(18-11-17(23)3-4-19(18)24)30-20-10-16(13-28-22(20)25)15-2-5-21(27-12-15)29-8-6-26-7-9-29/h2-5,10-14,26H,6-9H2,1H3,(H2,25,28).
What are the key properties of 3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine?
3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine has a molecular weight of 411.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 123857364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).