N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide

C25H31N5O3S — CID 135348359

IUPACN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C25H31N5O3S/c1-17(2)34(31,32)29-21-12-19(13-23(15-21)33-3)24-14-20(16-28-25(24)26)18-4-6-22(7-5-18)30-10-8-27-9-11-30/h4-7,12-17,27,29H,8-11H2,1-3H3,(H2,26,28)
InChIKeyAGBKRFXLWIHJQH-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.57
Rot. Bonds7

About N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide

N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide (PubChem CID 135348359) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide
PubChem CID135348359
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC NameN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C25H31N5O3S/c1-17(2)34(31,32)29-21-12-19(13-23(15-21)33-3)24-14-20(16-28-25(24)26)18-4-6-22(7-5-18)30-10-8-27-9-11-30/h4-7,12-17,27,29H,8-11H2,1-3H3,(H2,26,28)
InChIKeyAGBKRFXLWIHJQH-UHFFFAOYSA-N
XLogP3.57
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
CID 133053558
Ripk2-IN-1
CID 135348339
N-(5-(2-Amino-5-(4-(piperazin-1-yl)phenyl)pyridin-3-yl)-2,3-dimethoxyphenyl)propane-1-sulfonamide
CID 134817211
N-[4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]methanesulfonamide
CID 71461081
5-(4-Piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine
CID 118392559
3-(3,4-Dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392566
3-(3-Methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392567
3-(3-Methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392573
3-(3,5-Dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118716165
N-(5-(2-Amino-5-(4-(piperazin-1-yl)phenyl)pyridin-3-yl)-3-fluoro-2-methoxyphenyl)propane-1-sulfonamide
CID 134817210
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide
CID 135348299
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide
CID 135348319

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide?
The IUPAC name of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide (CID 135348359) is N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide is COc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1.
What is the InChIKey of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide?
The InChIKey is AGBKRFXLWIHJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-17(2)34(31,32)29-21-12-19(13-23(15-21)33-3)24-14-20(16-28-25(24)26)18-4-6-22(7-5-18)30-10-8-27-9-11-30/h4-7,12-17,27,29H,8-11H2,1-3H3,(H2,26,28).
What are the key properties of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide?
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide has a molecular weight of 481.62 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide is sourced from PubChem (CID 135348359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).