6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide

C21H15BrN4O3S — CID 11363697

IUPAC6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2ncc3cc(-c4ccccc4Br)c(C(N)=O)nc3n2)c1
InChIInChI=1S/C21H15BrN4O3S/c1-30(28,29)14-6-4-5-12(9-14)20-24-11-13-10-16(15-7-2-3-8-17(15)22)18(19(23)27)25-21(13)26-20/h2-11H,1H3,(H2,23,27)
InChIKeyXIKFAHDHBXKAEJ-UHFFFAOYSA-N
MW483.35 g/mol
LogP3.62
Rot. Bonds4

About 6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide

6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 11363697) has the molecular formula C21H15BrN4O3S and a molecular weight of 483.35 g/mol. Its IUPAC name is 6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID11363697
Molecular FormulaC21H15BrN4O3S
Molecular Weight483.35 g/mol
Exact Mass482.00
IUPAC Name6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2ncc3cc(-c4ccccc4Br)c(C(N)=O)nc3n2)c1
InChIInChI=1S/C21H15BrN4O3S/c1-30(28,29)14-6-4-5-12(9-14)20-24-11-13-10-16(15-7-2-3-8-17(15)22)18(19(23)27)25-21(13)26-20/h2-11H,1H3,(H2,23,27)
InChIKeyXIKFAHDHBXKAEJ-UHFFFAOYSA-N
XLogP3.62
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 11363697) is 6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide is CS(=O)(=O)c1cccc(-c2ncc3cc(-c4ccccc4Br)c(C(N)=O)nc3n2)c1.
What is the InChIKey of 6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is XIKFAHDHBXKAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN4O3S/c1-30(28,29)14-6-4-5-12(9-14)20-24-11-13-10-16(15-7-2-3-8-17(15)22)18(19(23)27)25-21(13)26-20/h2-11H,1H3,(H2,23,27).
What are the key properties of 6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 483.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 11363697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).