1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine

C19H16N4O2S — CID 118735334

IUPAC1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2ccnc(-c3ccc(S(C)(=O)=O)cc3)n2)c2ccncc21
InChIInChI=1S/C19H16N4O2S/c1-23-12-16(15-7-9-20-11-18(15)23)17-8-10-21-19(22-17)13-3-5-14(6-4-13)26(2,24)25/h3-12H,1-2H3
InChIKeyUTJIEBWCJRJUNS-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.10
Rot. Bonds3

About 1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine

1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine (PubChem CID 118735334) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine
PubChem CID118735334
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2ccnc(-c3ccc(S(C)(=O)=O)cc3)n2)c2ccncc21
InChIInChI=1S/C19H16N4O2S/c1-23-12-16(15-7-9-20-11-18(15)23)17-8-10-21-19(22-17)13-3-5-14(6-4-13)26(2,24)25/h3-12H,1-2H3
InChIKeyUTJIEBWCJRJUNS-UHFFFAOYSA-N
XLogP3.10
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine (CID 118735334) is 1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine is Cn1cc(-c2ccnc(-c3ccc(S(C)(=O)=O)cc3)n2)c2ccncc21.
What is the InChIKey of 1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine?
The InChIKey is UTJIEBWCJRJUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-23-12-16(15-7-9-20-11-18(15)23)17-8-10-21-19(22-17)13-3-5-14(6-4-13)26(2,24)25/h3-12H,1-2H3.
What are the key properties of 1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine?
1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine has a molecular weight of 364.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 118735334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).