N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C24H23N5O3S — CID 53321771

IUPACN-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)c1cc2cccnc2[nH]1
InChIInChI=1S/C24H23N5O3S/c30-24(22-16-18-6-5-11-25-23(18)27-22)26-19-7-4-10-21(17-19)33(31,32)29-14-12-28(13-15-29)20-8-2-1-3-9-20/h1-11,16-17H,12-15H2,(H,25,27)(H,26,30)
InChIKeyWJAJCALRABXWDF-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.33
Rot. Bonds5

About N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 53321771) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID53321771
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)c1cc2cccnc2[nH]1
InChIInChI=1S/C24H23N5O3S/c30-24(22-16-18-6-5-11-25-23(18)27-22)26-19-7-4-10-21(17-19)33(31,32)29-14-12-28(13-15-29)20-8-2-1-3-9-20/h1-11,16-17H,12-15H2,(H,25,27)(H,26,30)
InChIKeyWJAJCALRABXWDF-UHFFFAOYSA-N
XLogP3.33
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 53321771) is N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)c1cc2cccnc2[nH]1.
What is the InChIKey of N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is WJAJCALRABXWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c30-24(22-16-18-6-5-11-25-23(18)27-22)26-19-7-4-10-21(17-19)33(31,32)29-14-12-28(13-15-29)20-8-2-1-3-9-20/h1-11,16-17H,12-15H2,(H,25,27)(H,26,30).
What are the key properties of N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53321771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).