7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine

C22H15Cl2FN4O2 — CID 76618330

IUPAC7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine
SMILESCC(Oc1c(N)ncc2c(-c3cnc4[nH]ccc4c3)coc12)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C22H15Cl2FN4O2/c1-10(17-15(23)2-3-16(25)18(17)24)31-20-19-13(8-28-21(20)26)14(9-30-19)12-6-11-4-5-27-22(11)29-7-12/h2-10H,1H3,(H2,26,28)(H,27,29)
InChIKeyREZOXZQBDJOIIS-UHFFFAOYSA-N
MW457.29 g/mol
LogP6.54
Rot. Bonds4

About 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine

7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine (PubChem CID 76618330) has the molecular formula C22H15Cl2FN4O2 and a molecular weight of 457.29 g/mol. Its IUPAC name is 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine
PubChem CID76618330
Molecular FormulaC22H15Cl2FN4O2
Molecular Weight457.29 g/mol
Exact Mass456.06
IUPAC Name7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine
SMILESCC(Oc1c(N)ncc2c(-c3cnc4[nH]ccc4c3)coc12)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C22H15Cl2FN4O2/c1-10(17-15(23)2-3-16(25)18(17)24)31-20-19-13(8-28-21(20)26)14(9-30-19)12-6-11-4-5-27-22(11)29-7-12/h2-10H,1H3,(H2,26,28)(H,27,29)
InChIKeyREZOXZQBDJOIIS-UHFFFAOYSA-N
XLogP6.54
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.29
LogP ≤ 56.54
H-Bond Donors ≤ 52
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]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine?
The IUPAC name of 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine (CID 76618330) is 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine?
The canonical SMILES for 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine is CC(Oc1c(N)ncc2c(-c3cnc4[nH]ccc4c3)coc12)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine?
The InChIKey is REZOXZQBDJOIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN4O2/c1-10(17-15(23)2-3-16(25)18(17)24)31-20-19-13(8-28-21(20)26)14(9-30-19)12-6-11-4-5-27-22(11)29-7-12/h2-10H,1H3,(H2,26,28)(H,27,29).
What are the key properties of 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine?
7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine has a molecular weight of 457.29 g/mol, XLogP of 6.54, 4 rotatable bonds, 2 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]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 76618330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).