N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide

C25H16F3N3O3 — CID 59813461

IUPACN-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H16F3N3O3/c26-25(27,28)34-17-6-4-15(5-7-17)24(32)31-21-3-1-2-16-14-18(8-9-19(16)21)33-22-11-13-30-23-20(22)10-12-29-23/h1-14H,(H,29,30)(H,31,32)
InChIKeyDFEYHDFEFIMALM-UHFFFAOYSA-N
MW463.42 g/mol
LogP6.66
Rot. Bonds5

About N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide

N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 59813461) has the molecular formula C25H16F3N3O3 and a molecular weight of 463.42 g/mol. Its IUPAC name is N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide
PubChem CID59813461
Molecular FormulaC25H16F3N3O3
Molecular Weight463.42 g/mol
Exact Mass463.11
IUPAC NameN-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H16F3N3O3/c26-25(27,28)34-17-6-4-15(5-7-17)24(32)31-21-3-1-2-16-14-18(8-9-19(16)21)33-22-11-13-30-23-20(22)10-12-29-23/h1-14H,(H,29,30)(H,31,32)
InChIKeyDFEYHDFEFIMALM-UHFFFAOYSA-N
XLogP6.66
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.42
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide (CID 59813461) is N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide is O=C(Nc1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is DFEYHDFEFIMALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3O3/c26-25(27,28)34-17-6-4-15(5-7-17)24(32)31-21-3-1-2-16-14-18(8-9-19(16)21)33-22-11-13-30-23-20(22)10-12-29-23/h1-14H,(H,29,30)(H,31,32).
What are the key properties of N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide?
N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 463.42 g/mol, XLogP of 6.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 59813461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).