5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine

C20H15F3N4O2 — CID 135278717

IUPAC5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESCc1cc(-c2cc(N)cnc2Oc2cccc(C(F)(F)F)c2)c2ccnc-2n1O
InChIInChI=1S/C20H15F3N4O2/c1-11-7-16(15-5-6-25-18(15)27(11)28)17-9-13(24)10-26-19(17)29-14-4-2-3-12(8-14)20(21,22)23/h2-10,28H,24H2,1H3
InChIKeyLAMNDNZKVOLHFT-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.99
Rot. Bonds3

About 5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine

5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine (PubChem CID 135278717) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
PubChem CID135278717
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESCc1cc(-c2cc(N)cnc2Oc2cccc(C(F)(F)F)c2)c2ccnc-2n1O
InChIInChI=1S/C20H15F3N4O2/c1-11-7-16(15-5-6-25-18(15)27(11)28)17-9-13(24)10-26-19(17)29-14-4-2-3-12(8-14)20(21,22)23/h2-10,28H,24H2,1H3
InChIKeyLAMNDNZKVOLHFT-UHFFFAOYSA-N
XLogP4.99
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The IUPAC name of 5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine (CID 135278717) is 5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The canonical SMILES for 5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine is Cc1cc(-c2cc(N)cnc2Oc2cccc(C(F)(F)F)c2)c2ccnc-2n1O.
What is the InChIKey of 5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The InChIKey is LAMNDNZKVOLHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-11-7-16(15-5-6-25-18(15)27(11)28)17-9-13(24)10-26-19(17)29-14-4-2-3-12(8-14)20(21,22)23/h2-10,28H,24H2,1H3.
What are the key properties of 5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine?
5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine has a molecular weight of 400.36 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 135278717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).