N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine

C19H22N4O2S — CID 136527600

IUPACN-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1
InChIInChI=1S/C19H22N4O2S/c1-14-4-2-5-16(12-14)22-15-7-10-23(11-8-15)26(24,25)18-13-21-19-17(18)6-3-9-20-19/h2-6,9,12-13,15,22H,7-8,10-11H2,1H3,(H,20,21)
InChIKeyCFACUUVHCGEKNE-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.14
Rot. Bonds4

About N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine

N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine (PubChem CID 136527600) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
PubChem CID136527600
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1
InChIInChI=1S/C19H22N4O2S/c1-14-4-2-5-16(12-14)22-15-7-10-23(11-8-15)26(24,25)18-13-21-19-17(18)6-3-9-20-19/h2-6,9,12-13,15,22H,7-8,10-11H2,1H3,(H,20,21)
InChIKeyCFACUUVHCGEKNE-UHFFFAOYSA-N
XLogP3.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidine-4-carbaldehyde
CID 63845027
3-(3-cyclopentylpyrrolidin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 128851562
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
CID 55132702
3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
CID 79867718
3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 47068629
[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-yl]methanol
CID 62370984
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone
CID 120625160
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63030810
3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63874430
3-(1,4-diazepan-1-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 61171970
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
CID 61168849
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 66212008

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The IUPAC name of N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine (CID 136527600) is N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine is Cc1cccc(NC2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The InChIKey is CFACUUVHCGEKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-4-2-5-16(12-14)22-15-7-10-23(11-8-15)26(24,25)18-13-21-19-17(18)6-3-9-20-19/h2-6,9,12-13,15,22H,7-8,10-11H2,1H3,(H,20,21).
What are the key properties of N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine has a molecular weight of 370.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 136527600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).