5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid

C14H12N4O3 — CID 166342718

IUPAC5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCOc1ncc(-c2cnc3c(c2)cc(C(=O)O)n3C)cn1
InChIInChI=1S/C14H12N4O3/c1-18-11(13(19)20)4-8-3-9(5-15-12(8)18)10-6-16-14(21-2)17-7-10/h3-7H,1-2H3,(H,19,20)
InChIKeyPUEIDIBTQIHVBA-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.74
Rot. Bonds3

About 5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid

5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 166342718) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID166342718
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCOc1ncc(-c2cnc3c(c2)cc(C(=O)O)n3C)cn1
InChIInChI=1S/C14H12N4O3/c1-18-11(13(19)20)4-8-3-9(5-15-12(8)18)10-6-16-14(21-2)17-7-10/h3-7H,1-2H3,(H,19,20)
InChIKeyPUEIDIBTQIHVBA-UHFFFAOYSA-N
XLogP1.74
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
1,8-Naphthyridine-2-carboxylic acid
CID 735156
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
3-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzoic acid
CID 23646643
1h-Pyrrolo[2,3-b]pyridine-6-carboxylic acid,3-cyclohexyl-1-methyl-2-phenyl-
CID 514293
3-Cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 16072895
1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 7144623
6-(pyridin-3-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16367113
2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-nicotinic acid
CID 44320733
methyl 4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carboxylate
CID 145993259
(2-methyl-1-pyridin-3-ylmethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid
CID 23582349
2-Methyl-1-(2-pyridinylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-acetic acid
CID 23582350

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 166342718) is 5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid is COc1ncc(-c2cnc3c(c2)cc(C(=O)O)n3C)cn1.
What is the InChIKey of 5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is PUEIDIBTQIHVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-18-11(13(19)20)4-8-3-9(5-15-12(8)18)10-6-16-14(21-2)17-7-10/h3-7H,1-2H3,(H,19,20).
What are the key properties of 5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid?
5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 284.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 166342718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).