5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid

C20H18F3N3O4 — CID 58067628

IUPAC5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(n3cc(C(F)(F)F)c4cccnc43)CCCC2)cc(O)c1=O
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)14-9-26(17-12(14)4-3-7-24-17)19(5-1-2-6-19)11-25-8-13(18(29)30)16(28)15(27)10-25/h3-4,7-10,27H,1-2,5-6,11H2,(H,29,30)
InChIKeyDPOHKPJERNWZLV-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.59
Rot. Bonds4

About 5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid (PubChem CID 58067628) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid
PubChem CID58067628
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(n3cc(C(F)(F)F)c4cccnc43)CCCC2)cc(O)c1=O
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)14-9-26(17-12(14)4-3-7-24-17)19(5-1-2-6-19)11-25-8-13(18(29)30)16(28)15(27)10-25/h3-4,7-10,27H,1-2,5-6,11H2,(H,29,30)
InChIKeyDPOHKPJERNWZLV-UHFFFAOYSA-N
XLogP3.59
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
CID 90429399
5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridazine-3-carboxylic acid
CID 123399268
3-[(tert-butylamino)methyl]-1-[[1-(3-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-5-hydroxypyridazin-4-one
CID 123345805
3-acetyl-1-[[1-(3-butylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-5-hydroxypyridazin-4-one
CID 144808005
5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid
CID 58067521
5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
CID 144807883
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
CID 70598090
N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
CID 139351058
ethane;1-[[1-(4-fluoroindol-1-yl)cyclopentyl]methyl]-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-[(3-methylpyrrolo[2,3-b]pyridin-1-yl)methyl]cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
CID 144807972
1-(carboxymethyl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 43831649
4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 10934616

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid (CID 58067628) is 5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(CC2(n3cc(C(F)(F)F)c4cccnc43)CCCC2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is DPOHKPJERNWZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c21-20(22,23)14-9-26(17-12(14)4-3-7-24-17)19(5-1-2-6-19)11-25-8-13(18(29)30)16(28)15(27)10-25/h3-4,7-10,27H,1-2,5-6,11H2,(H,29,30).
What are the key properties of 5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 421.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58067628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).