6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide

C24H15F3N4O3 — CID 59813523

IUPAC6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc2cc(Oc3ncnc4[nH]ccc34)ccc12
InChIInChI=1S/C24H15F3N4O3/c25-24(26,27)34-16-6-4-15(5-7-16)31-22(32)19-3-1-2-14-12-17(8-9-18(14)19)33-23-20-10-11-28-21(20)29-13-30-23/h1-13H,(H,31,32)(H,28,29,30)
InChIKeyWAGZRXSTNRIGEI-UHFFFAOYSA-N
MW464.40 g/mol
LogP6.05
Rot. Bonds5

About 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide

6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide (PubChem CID 59813523) has the molecular formula C24H15F3N4O3 and a molecular weight of 464.40 g/mol. Its IUPAC name is 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
PubChem CID59813523
Molecular FormulaC24H15F3N4O3
Molecular Weight464.40 g/mol
Exact Mass464.11
IUPAC Name6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc2cc(Oc3ncnc4[nH]ccc34)ccc12
InChIInChI=1S/C24H15F3N4O3/c25-24(26,27)34-16-6-4-15(5-7-16)31-22(32)19-3-1-2-14-12-17(8-9-18(14)19)33-23-20-10-11-28-21(20)29-13-30-23/h1-13H,(H,31,32)(H,28,29,30)
InChIKeyWAGZRXSTNRIGEI-UHFFFAOYSA-N
XLogP6.05
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.40
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide
CID 59813569
N-[3-[2-(dimethylamino)ethyl]phenyl]-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide
CID 59813871
2,2,2-trifluoro-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]acetamide
CID 170214177
6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 59813795
N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide
CID 59813234
6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 23653451
1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide
CID 141497654
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
4-methyl-N-propan-2-ylpyrimidin-2-amine;6-methyl-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 143083674
N-(4-tert-butylphenyl)-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23653203
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
CID 24824044

Frequently Asked Questions

What is the IUPAC name of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide (CID 59813523) is 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc2cc(Oc3ncnc4[nH]ccc34)ccc12.
What is the InChIKey of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
The InChIKey is WAGZRXSTNRIGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O3/c25-24(26,27)34-16-6-4-15(5-7-16)31-22(32)19-3-1-2-14-12-17(8-9-18(14)19)33-23-20-10-11-28-21(20)29-13-30-23/h1-13H,(H,31,32)(H,28,29,30).
What are the key properties of 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide?
6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide has a molecular weight of 464.40 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 59813523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).