2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C14H13N3O2S — CID 59406224

IUPAC2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2c(-c3ccc(S(C)(=O)=O)cn3)ccnc2[nH]1
InChIInChI=1S/C14H13N3O2S/c1-9-7-12-11(5-6-15-14(12)17-9)13-4-3-10(8-16-13)20(2,18)19/h3-8H,1-2H3,(H,15,17)
InChIKeyRWCJAXBXNCERHE-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.34
Rot. Bonds2

About 2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59406224) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59406224
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2c(-c3ccc(S(C)(=O)=O)cn3)ccnc2[nH]1
InChIInChI=1S/C14H13N3O2S/c1-9-7-12-11(5-6-15-14(12)17-9)13-4-3-10(8-16-13)20(2,18)19/h3-8H,1-2H3,(H,15,17)
InChIKeyRWCJAXBXNCERHE-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70649109
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CID 71581422
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CID 134812697
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CID 138454304
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CID 22028181
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CID 25110819
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CID 70684603

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 59406224) is 2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is Cc1cc2c(-c3ccc(S(C)(=O)=O)cn3)ccnc2[nH]1.
What is the InChIKey of 2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RWCJAXBXNCERHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-7-12-11(5-6-15-14(12)17-9)13-4-3-10(8-16-13)20(2,18)19/h3-8H,1-2H3,(H,15,17).
What are the key properties of 2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 287.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59406224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).