4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine

C17H12ClN5O — CID 146671566

IUPAC4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine
SMILESCOc1cnc(-c2cn(-c3ccccc3)c3ncnc(Cl)c23)cn1
InChIInChI=1S/C17H12ClN5O/c1-24-14-8-19-13(7-20-14)12-9-23(11-5-3-2-4-6-11)17-15(12)16(18)21-10-22-17/h2-10H,1H3
InChIKeyGBNVJSDADYASLN-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.54
Rot. Bonds3

About 4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine

4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 146671566) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is 4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID146671566
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine
SMILESCOc1cnc(-c2cn(-c3ccccc3)c3ncnc(Cl)c23)cn1
InChIInChI=1S/C17H12ClN5O/c1-24-14-8-19-13(7-20-14)12-9-23(11-5-3-2-4-6-11)17-15(12)16(18)21-10-22-17/h2-10H,1H3
InChIKeyGBNVJSDADYASLN-UHFFFAOYSA-N
XLogP3.54
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine (CID 146671566) is 4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine is COc1cnc(-c2cn(-c3ccccc3)c3ncnc(Cl)c23)cn1.
What is the InChIKey of 4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is GBNVJSDADYASLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c1-24-14-8-19-13(7-20-14)12-9-23(11-5-3-2-4-6-11)17-15(12)16(18)21-10-22-17/h2-10H,1H3.
What are the key properties of 4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine?
4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 337.77 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-methoxypyrazin-2-yl)-7-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 146671566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).