3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine

C20H16ClFN4O — CID 146185150

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2c[nH]c3ccncc23)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C20H16ClFN4O/c1-11(14-7-13(22)2-3-17(14)21)27-19-6-12(8-26-20(19)23)15-10-25-18-4-5-24-9-16(15)18/h2-11,25H,1H3,(H2,23,26)
InChIKeyDYHITZUABKWZGK-UHFFFAOYSA-N
MW382.83 g/mol
LogP5.14
Rot. Bonds4

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine (PubChem CID 146185150) has the molecular formula C20H16ClFN4O and a molecular weight of 382.83 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine
PubChem CID146185150
Molecular FormulaC20H16ClFN4O
Molecular Weight382.83 g/mol
Exact Mass382.10
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2c[nH]c3ccncc23)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C20H16ClFN4O/c1-11(14-7-13(22)2-3-17(14)21)27-19-6-12(8-26-20(19)23)15-10-25-18-4-5-24-9-16(15)18/h2-11,25H,1H3,(H2,23,26)
InChIKeyDYHITZUABKWZGK-UHFFFAOYSA-N
XLogP5.14
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.83
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine (CID 146185150) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine is CC(Oc1cc(-c2c[nH]c3ccncc23)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine?
The InChIKey is DYHITZUABKWZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O/c1-11(14-7-13(22)2-3-17(14)21)27-19-6-12(8-26-20(19)23)15-10-25-18-4-5-24-9-16(15)18/h2-11,25H,1H3,(H2,23,26).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine has a molecular weight of 382.83 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 146185150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).