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

C19H16N4O2S — CID 118735335

IUPAC7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESCc1nccc2c(-c3ccnc(-c4ccc(S(C)(=O)=O)cc4)n3)c[nH]c12
InChIInChI=1S/C19H16N4O2S/c1-12-18-15(7-9-20-12)16(11-22-18)17-8-10-21-19(23-17)13-3-5-14(6-4-13)26(2,24)25/h3-11,22H,1-2H3
InChIKeyWDJPGJTYVFXRTA-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.40
Rot. Bonds3

About 7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine

7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine (PubChem CID 118735335) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine
PubChem CID118735335
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESCc1nccc2c(-c3ccnc(-c4ccc(S(C)(=O)=O)cc4)n3)c[nH]c12
InChIInChI=1S/C19H16N4O2S/c1-12-18-15(7-9-20-12)16(11-22-18)17-8-10-21-19(23-17)13-3-5-14(6-4-13)26(2,24)25/h3-11,22H,1-2H3
InChIKeyWDJPGJTYVFXRTA-UHFFFAOYSA-N
XLogP3.40
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine (CID 118735335) is 7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine is Cc1nccc2c(-c3ccnc(-c4ccc(S(C)(=O)=O)cc4)n3)c[nH]c12.
What is the InChIKey of 7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is WDJPGJTYVFXRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-18-15(7-9-20-12)16(11-22-18)17-8-10-21-19(23-17)13-3-5-14(6-4-13)26(2,24)25/h3-11,22H,1-2H3.
What are the key properties of 7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine?
7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 364.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 118735335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).