3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine

C18H22N6O2S — CID 58177380

IUPAC3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine
SMILESCn1ccc2ncc(-c3cccnc3N[C@H]3CCCN(S(C)(=O)=O)C3)nc21
InChIInChI=1S/C18H22N6O2S/c1-23-10-7-15-18(23)22-16(11-20-15)14-6-3-8-19-17(14)21-13-5-4-9-24(12-13)27(2,25)26/h3,6-8,10-11,13H,4-5,9,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyRLYDDKYLBSDJBO-ZDUSSCGKSA-N
MW386.48 g/mol
LogP1.87
Rot. Bonds4

About 3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine

3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine (PubChem CID 58177380) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine
PubChem CID58177380
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine
SMILESCn1ccc2ncc(-c3cccnc3N[C@H]3CCCN(S(C)(=O)=O)C3)nc21
InChIInChI=1S/C18H22N6O2S/c1-23-10-7-15-18(23)22-16(11-20-15)14-6-3-8-19-17(14)21-13-5-4-9-24(12-13)27(2,25)26/h3,6-8,10-11,13H,4-5,9,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyRLYDDKYLBSDJBO-ZDUSSCGKSA-N
XLogP1.87
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine?
The IUPAC name of 3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine (CID 58177380) is 3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine is Cn1ccc2ncc(-c3cccnc3N[C@H]3CCCN(S(C)(=O)=O)C3)nc21.
What is the InChIKey of 3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine?
The InChIKey is RLYDDKYLBSDJBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-23-10-7-15-18(23)22-16(11-20-15)14-6-3-8-19-17(14)21-13-5-4-9-24(12-13)27(2,25)26/h3,6-8,10-11,13H,4-5,9,12H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine?
3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine has a molecular weight of 386.48 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 58177380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).