4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine

C22H13F3N4 — CID 56592732

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine
SMILESFC(F)(F)c1cccc(-c2cc(-c3c[nH]c4ncccc34)c3cccnc3n2)c1
InChIInChI=1S/C22H13F3N4/c23-22(24,25)14-5-1-4-13(10-14)19-11-17(15-6-2-9-27-21(15)29-19)18-12-28-20-16(18)7-3-8-26-20/h1-12H,(H,26,28)
InChIKeyAOTCJVCKBLYHMK-UHFFFAOYSA-N
MW390.37 g/mol
LogP5.86
Rot. Bonds2

About 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine

4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine (PubChem CID 56592732) has the molecular formula C22H13F3N4 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine
PubChem CID56592732
Molecular FormulaC22H13F3N4
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine
SMILESFC(F)(F)c1cccc(-c2cc(-c3c[nH]c4ncccc34)c3cccnc3n2)c1
InChIInChI=1S/C22H13F3N4/c23-22(24,25)14-5-1-4-13(10-14)19-11-17(15-6-2-9-27-21(15)29-19)18-12-28-20-16(18)7-3-8-26-20/h1-12H,(H,26,28)
InChIKeyAOTCJVCKBLYHMK-UHFFFAOYSA-N
XLogP5.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.37
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine
CID 174781441
N-[4-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 59860386
3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 146642431
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
5-[3-(trifluoromethyl)phenyl]-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 162658639
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]urea
CID 141154356
1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 170541363
4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 71286698
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123353263
2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59362665

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine (CID 56592732) is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine is FC(F)(F)c1cccc(-c2cc(-c3c[nH]c4ncccc34)c3cccnc3n2)c1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine?
The InChIKey is AOTCJVCKBLYHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N4/c23-22(24,25)14-5-1-4-13(10-14)19-11-17(15-6-2-9-27-21(15)29-19)18-12-28-20-16(18)7-3-8-26-20/h1-12H,(H,26,28).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine?
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine has a molecular weight of 390.37 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine is sourced from PubChem (CID 56592732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).