1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine

C19H23N5O2S — CID 150240734

IUPAC1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(NN4CCCCC4)c(N)cnc32)cc1
InChIInChI=1S/C19H23N5O2S/c1-14-5-7-15(8-6-14)27(25,26)24-12-9-16-18(17(20)13-21-19(16)24)22-23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,22)
InChIKeyFXLXVKHEGMQQIZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine

1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine (PubChem CID 150240734) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine
PubChem CID150240734
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(NN4CCCCC4)c(N)cnc32)cc1
InChIInChI=1S/C19H23N5O2S/c1-14-5-7-15(8-6-14)27(25,26)24-12-9-16-18(17(20)13-21-19(16)24)22-23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,22)
InChIKeyFXLXVKHEGMQQIZ-UHFFFAOYSA-N
XLogP2.98
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[1-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4-methylpiperidin-4-yl]ethanesulfonate
CID 174208868
1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine
CID 177039469
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
2-methyl-2-[1-[[1-(4-methylphenyl)sulfonyl-5-nitropyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-4-yl]propanenitrile
CID 164575229
(E)-1-[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-3-(dimethylamino)prop-2-en-1-one
CID 86708840
(6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile
CID 166591608
3-methyl-10-(4-methylphenyl)sulfonyl-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 141466911
[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
CID 68791607
methyl 3-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentane-1-carboxylate
CID 78042404
2-[1-[(5-amino-1-benzylsulfonylpyrrolo[2,3-b]pyridin-4-yl)amino]azepan-4-yl]acetonitrile
CID 164575224
2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine
CID 67216563
4-chloro-5-[(Z)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 175140553

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine (CID 150240734) is 1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine is Cc1ccc(S(=O)(=O)n2ccc3c(NN4CCCCC4)c(N)cnc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine?
The InChIKey is FXLXVKHEGMQQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-14-5-7-15(8-6-14)27(25,26)24-12-9-16-18(17(20)13-21-19(16)24)22-23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,22).
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine?
1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine has a molecular weight of 385.49 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine is sourced from PubChem (CID 150240734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).