5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C13H17ClN4O2S — CID 58896827

IUPAC5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCS(=O)(=O)N1CCCC(Nc2c(Cl)cnc3[nH]ccc23)C1
InChIInChI=1S/C13H17ClN4O2S/c1-21(19,20)18-6-2-3-9(8-18)17-12-10-4-5-15-13(10)16-7-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,16,17)
InChIKeyDENYFDDFOPJJNX-UHFFFAOYSA-N
MW328.83 g/mol
LogP2.05
Rot. Bonds3

About 5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 58896827) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID58896827
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCS(=O)(=O)N1CCCC(Nc2c(Cl)cnc3[nH]ccc23)C1
InChIInChI=1S/C13H17ClN4O2S/c1-21(19,20)18-6-2-3-9(8-18)17-12-10-4-5-15-13(10)16-7-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,16,17)
InChIKeyDENYFDDFOPJJNX-UHFFFAOYSA-N
XLogP2.05
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278426
1-[(3R)-3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 58896960
2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine
CID 50995340
N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 71258218
N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 134271150
6-methyl-N-(1-methylsulfonylpiperidin-3-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 50996941
5-chloro-4-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 166240638
3-(1-methylsulfonylazepan-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 67278332
2-N,2-N-dimethyl-4-N-[(3S)-1-methylsulfonylpiperidin-3-yl]-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidine-2,4-diamine
CID 58177236
5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide
CID 95140836
4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one
CID 47406239
3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 67278113

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 58896827) is 5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is CS(=O)(=O)N1CCCC(Nc2c(Cl)cnc3[nH]ccc23)C1.
What is the InChIKey of 5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is DENYFDDFOPJJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c1-21(19,20)18-6-2-3-9(8-18)17-12-10-4-5-15-13(10)16-7-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,16,17).
What are the key properties of 5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 328.83 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 58896827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).