3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid

C18H12ClN5O2 — CID 140533495

IUPAC3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2cnc3[nH]cc(-c4ccccc4)c3c2Cl)nc1C(=O)O
InChIInChI=1S/C18H12ClN5O2/c19-14-11(12-8-21-16(20)15(24-12)18(25)26)7-23-17-13(14)10(6-22-17)9-4-2-1-3-5-9/h1-8H,(H2,20,21)(H,22,23)(H,25,26)
InChIKeyVERHAMRJOYEOIY-UHFFFAOYSA-N
MW365.78 g/mol
LogP3.62
Rot. Bonds3

About 3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid

3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid (PubChem CID 140533495) has the molecular formula C18H12ClN5O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is 3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid
PubChem CID140533495
Molecular FormulaC18H12ClN5O2
Molecular Weight365.78 g/mol
Exact Mass365.07
IUPAC Name3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2cnc3[nH]cc(-c4ccccc4)c3c2Cl)nc1C(=O)O
InChIInChI=1S/C18H12ClN5O2/c19-14-11(12-8-21-16(20)15(24-12)18(25)26)7-23-17-13(14)10(6-22-17)9-4-2-1-3-5-9/h1-8H,(H2,20,21)(H,22,23)(H,25,26)
InChIKeyVERHAMRJOYEOIY-UHFFFAOYSA-N
XLogP3.62
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid
CID 59263791
4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 11499595
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 58840776
2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 66786947
4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 59411368
4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155251412
3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 155817766
6-amino-3-phenylpyridine-2-carboxylic acid
CID 46314647
4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide
CID 172556692
N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide
CID 10402476
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid (CID 140533495) is 3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid is Nc1ncc(-c2cnc3[nH]cc(-c4ccccc4)c3c2Cl)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid?
The InChIKey is VERHAMRJOYEOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2/c19-14-11(12-8-21-16(20)15(24-12)18(25)26)7-23-17-13(14)10(6-22-17)9-4-2-1-3-5-9/h1-8H,(H2,20,21)(H,22,23)(H,25,26).
What are the key properties of 3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid?
3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid has a molecular weight of 365.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 140533495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).