3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine

C17H19ClN6O2S — CID 58177336

IUPAC3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]cc(Cl)c3n2)C1
InChIInChI=1S/C17H19ClN6O2S/c1-27(25,26)24-7-3-4-11(10-24)22-16-12(5-2-6-19-16)14-9-21-17-15(23-14)13(18)8-20-17/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKeyYBAFPAFESOTFOQ-NSHDSACASA-N
MW406.90 g/mol
LogP2.51
Rot. Bonds4

About 3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine

3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine (PubChem CID 58177336) has the molecular formula C17H19ClN6O2S and a molecular weight of 406.90 g/mol. Its IUPAC name is 3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine
PubChem CID58177336
Molecular FormulaC17H19ClN6O2S
Molecular Weight406.90 g/mol
Exact Mass406.10
IUPAC Name3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]cc(Cl)c3n2)C1
InChIInChI=1S/C17H19ClN6O2S/c1-27(25,26)24-7-3-4-11(10-24)22-16-12(5-2-6-19-16)14-9-21-17-15(23-14)13(18)8-20-17/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKeyYBAFPAFESOTFOQ-NSHDSACASA-N
XLogP2.51
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine?
The IUPAC name of 3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine (CID 58177336) is 3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine is CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]cc(Cl)c3n2)C1.
What is the InChIKey of 3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine?
The InChIKey is YBAFPAFESOTFOQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H19ClN6O2S/c1-27(25,26)24-7-3-4-11(10-24)22-16-12(5-2-6-19-16)14-9-21-17-15(23-14)13(18)8-20-17/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1.
What are the key properties of 3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine?
3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine has a molecular weight of 406.90 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 58177336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).