4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine

C23H30N4O3S — CID 127047901

IUPAC4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)cc1
InChIInChI=1S/C23H30N4O3S/c1-17(2)16-31(28,29)27-10-9-20-21(18-5-7-19(30-4)8-6-18)15-22(24-23(20)27)26-13-11-25(3)12-14-26/h5-10,15,17H,11-14,16H2,1-4H3
InChIKeyOGYHYPVUHUXITF-UHFFFAOYSA-N
MW442.59 g/mol
LogP3.30
Rot. Bonds6

About 4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine

4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine (PubChem CID 127047901) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine
PubChem CID127047901
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)cc1
InChIInChI=1S/C23H30N4O3S/c1-17(2)16-31(28,29)27-10-9-20-21(18-5-7-19(30-4)8-6-18)15-22(24-23(20)27)26-13-11-25(3)12-14-26/h5-10,15,17H,11-14,16H2,1-4H3
InChIKeyOGYHYPVUHUXITF-UHFFFAOYSA-N
XLogP3.30
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine (CID 127047901) is 4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine is COc1ccc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine?
The InChIKey is OGYHYPVUHUXITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-17(2)16-31(28,29)27-10-9-20-21(18-5-7-19(30-4)8-6-18)15-22(24-23(20)27)26-13-11-25(3)12-14-26/h5-10,15,17H,11-14,16H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine?
4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine has a molecular weight of 442.59 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 127047901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).