7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine

C22H22Cl2FN3O2 — CID 76618476

IUPAC7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine
SMILESCNc1ncc2c(C3=CCN(C)CC3)coc2c1OC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C22H22Cl2FN3O2/c1-12(18-16(23)4-5-17(25)19(18)24)30-21-20-14(10-27-22(21)26-2)15(11-29-20)13-6-8-28(3)9-7-13/h4-6,10-12H,7-9H2,1-3H3,(H,26,27)
InChIKeyQAFXPAUSGRKXCE-UHFFFAOYSA-N
MW450.34 g/mol
LogP6.17
Rot. Bonds5

About 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine

7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine (PubChem CID 76618476) has the molecular formula C22H22Cl2FN3O2 and a molecular weight of 450.34 g/mol. Its IUPAC name is 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine
PubChem CID76618476
Molecular FormulaC22H22Cl2FN3O2
Molecular Weight450.34 g/mol
Exact Mass449.11
IUPAC Name7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine
SMILESCNc1ncc2c(C3=CCN(C)CC3)coc2c1OC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C22H22Cl2FN3O2/c1-12(18-16(23)4-5-17(25)19(18)24)30-21-20-14(10-27-22(21)26-2)15(11-29-20)13-6-8-28(3)9-7-13/h4-6,10-12H,7-9H2,1-3H3,(H,26,27)
InChIKeyQAFXPAUSGRKXCE-UHFFFAOYSA-N
XLogP6.17
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.34
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine?
The IUPAC name of 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine (CID 76618476) is 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine?
The canonical SMILES for 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine is CNc1ncc2c(C3=CCN(C)CC3)coc2c1OC(C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine?
The InChIKey is QAFXPAUSGRKXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2FN3O2/c1-12(18-16(23)4-5-17(25)19(18)24)30-21-20-14(10-27-22(21)26-2)15(11-29-20)13-6-8-28(3)9-7-13/h4-6,10-12H,7-9H2,1-3H3,(H,26,27).
What are the key properties of 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine?
7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine has a molecular weight of 450.34 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 76618476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).