2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

C16H15N3O3 — CID 134538137

IUPAC2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCCc1nc(-c2cccc(OC)c2)c2c(C(=O)O)c[nH]c2n1
InChIInChI=1S/C16H15N3O3/c1-3-12-18-14(9-5-4-6-10(7-9)22-2)13-11(16(20)21)8-17-15(13)19-12/h4-8H,3H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyBNALWCDGJCWUCP-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.89
Rot. Bonds4

About 2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 134538137) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID134538137
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCCc1nc(-c2cccc(OC)c2)c2c(C(=O)O)c[nH]c2n1
InChIInChI=1S/C16H15N3O3/c1-3-12-18-14(9-5-4-6-10(7-9)22-2)13-11(16(20)21)8-17-15(13)19-12/h4-8H,3H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyBNALWCDGJCWUCP-UHFFFAOYSA-N
XLogP2.89
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80936313
methyl 2-ethyl-6-(3-methoxyphenyl)pyridine-3-carboxylate
CID 134280348
2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475428
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
1-tert-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 39095997
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
2-(3-methoxyphenyl)-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]benzoic acid
CID 118078465
6-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548804
(4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone
CID 90646653
2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226564
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid (CID 134538137) is 2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid is CCc1nc(-c2cccc(OC)c2)c2c(C(=O)O)c[nH]c2n1.
What is the InChIKey of 2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is BNALWCDGJCWUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-12-18-14(9-5-4-6-10(7-9)22-2)13-11(16(20)21)8-17-15(13)19-12/h4-8H,3H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 134538137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).