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

C25H16F3N3O2 — CID 59813397

IUPACN-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H16F3N3O2/c26-25(27,28)17-5-1-4-16(13-17)24(32)31-21-6-2-3-15-14-18(7-8-19(15)21)33-22-10-12-30-23-20(22)9-11-29-23/h1-14H,(H,29,30)(H,31,32)
InChIKeyKYIQRHDEDUVQAQ-UHFFFAOYSA-N
MW447.42 g/mol
LogP6.78
Rot. Bonds4

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

N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide (PubChem CID 59813397) has the molecular formula C25H16F3N3O2 and a molecular weight of 447.42 g/mol. Its IUPAC name is N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide
PubChem CID59813397
Molecular FormulaC25H16F3N3O2
Molecular Weight447.42 g/mol
Exact Mass447.12
IUPAC NameN-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H16F3N3O2/c26-25(27,28)17-5-1-4-16(13-17)24(32)31-21-6-2-3-15-14-18(7-8-19(15)21)33-22-10-12-30-23-20(22)9-11-29-23/h1-14H,(H,29,30)(H,31,32)
InChIKeyKYIQRHDEDUVQAQ-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 N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide (CID 59813397) is N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is KYIQRHDEDUVQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3O2/c26-25(27,28)17-5-1-4-16(13-17)24(32)31-21-6-2-3-15-14-18(7-8-19(15)21)33-22-10-12-30-23-20(22)9-11-29-23/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]-3-(trifluoromethyl)benzamide?
N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide 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 N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalen-1-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59813397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).