4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine

C17H13ClF2N4O — CID 174161646

IUPAC4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine
SMILESCc1c(Nc2ccc(Cl)cc2F)cncc1Oc1ccnc(N)c1F
InChIInChI=1S/C17H13ClF2N4O/c1-9-13(24-12-3-2-10(18)6-11(12)19)7-22-8-15(9)25-14-4-5-23-17(21)16(14)20/h2-8,24H,1H3,(H2,21,23)
InChIKeyIRJUOGKUBHUEGD-UHFFFAOYSA-N
MW362.77 g/mol
LogP4.83
Rot. Bonds4

About 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine

4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine (PubChem CID 174161646) has the molecular formula C17H13ClF2N4O and a molecular weight of 362.77 g/mol. Its IUPAC name is 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine
PubChem CID174161646
Molecular FormulaC17H13ClF2N4O
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine
SMILESCc1c(Nc2ccc(Cl)cc2F)cncc1Oc1ccnc(N)c1F
InChIInChI=1S/C17H13ClF2N4O/c1-9-13(24-12-3-2-10(18)6-11(12)19)7-22-8-15(9)25-14-4-5-23-17(21)16(14)20/h2-8,24H,1H3,(H2,21,23)
InChIKeyIRJUOGKUBHUEGD-UHFFFAOYSA-N
XLogP4.83
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine 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-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine?
The IUPAC name of 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine (CID 174161646) is 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine?
The canonical SMILES for 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine is Cc1c(Nc2ccc(Cl)cc2F)cncc1Oc1ccnc(N)c1F.
What is the InChIKey of 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine?
The InChIKey is IRJUOGKUBHUEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O/c1-9-13(24-12-3-2-10(18)6-11(12)19)7-22-8-15(9)25-14-4-5-23-17(21)16(14)20/h2-8,24H,1H3,(H2,21,23).
What are the key properties of 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine?
4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine has a molecular weight of 362.77 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine is sourced from PubChem (CID 174161646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).