6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

C25H16F3N3O2 — CID 59813231

IUPAC6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12
InChIInChI=1S/C25H16F3N3O2/c26-25(27,28)16-4-6-17(7-5-16)31-24(32)20-3-1-2-15-14-18(8-9-19(15)20)33-22-11-13-30-23-21(22)10-12-29-23/h1-14H,(H,29,30)(H,31,32)
InChIKeyFBJIJRUVKZDEQY-UHFFFAOYSA-N
MW447.42 g/mol
LogP6.78
Rot. Bonds4

About 6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 59813231) has the molecular formula C25H16F3N3O2 and a molecular weight of 447.42 g/mol. Its IUPAC name is 6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
PubChem CID59813231
Molecular FormulaC25H16F3N3O2
Molecular Weight447.42 g/mol
Exact Mass447.12
IUPAC Name6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12
InChIInChI=1S/C25H16F3N3O2/c26-25(27,28)16-4-6-17(7-5-16)31-24(32)20-3-1-2-15-14-18(8-9-19(15)20)33-22-11-13-30-23-21(22)10-12-29-23/h1-14H,(H,29,30)(H,31,32)
InChIKeyFBJIJRUVKZDEQY-UHFFFAOYSA-N
XLogP6.78
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.42
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 59813231) is 6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12.
What is the InChIKey of 6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is FBJIJRUVKZDEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3O2/c26-25(27,28)16-4-6-17(7-5-16)31-24(32)20-3-1-2-15-14-18(8-9-19(15)20)33-22-11-13-30-23-21(22)10-12-29-23/h1-14H,(H,29,30)(H,31,32).
What are the key properties of 6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 447.42 g/mol, XLogP of 6.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 59813231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).