2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine

C18H23N7O3S — CID 50995343

IUPAC2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine
SMILESCCOc1ncc(-c2cnc3[nH]ccc3n2)c(NC2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C18H23N7O3S/c1-3-28-18-21-9-13(15-10-20-17-14(23-15)6-7-19-17)16(24-18)22-12-5-4-8-25(11-12)29(2,26)27/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,20)(H,21,22,24)
InChIKeyHSAKOHADCPEPRG-UHFFFAOYSA-N
MW417.50 g/mol
LogP1.65
Rot. Bonds6

About 2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine

2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine (PubChem CID 50995343) has the molecular formula C18H23N7O3S and a molecular weight of 417.50 g/mol. Its IUPAC name is 2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine
PubChem CID50995343
Molecular FormulaC18H23N7O3S
Molecular Weight417.50 g/mol
Exact Mass417.16
IUPAC Name2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine
SMILESCCOc1ncc(-c2cnc3[nH]ccc3n2)c(NC2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C18H23N7O3S/c1-3-28-18-21-9-13(15-10-20-17-14(23-15)6-7-19-17)16(24-18)22-12-5-4-8-25(11-12)29(2,26)27/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,20)(H,21,22,24)
InChIKeyHSAKOHADCPEPRG-UHFFFAOYSA-N
XLogP1.65
TPSA125.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine
CID 50995340
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
6-methyl-N-(1-methylsulfonylpiperidin-3-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 50996941
4-N-(1-methylsulfonylpiperidin-3-yl)-2-N-pyridin-4-yl-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidine-2,4-diamine
CID 50995701
N-[1-(3,3-dimethylbutylsulfonyl)piperidin-3-yl]-2-methylsulfanyl-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine
CID 50995155
N-[1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 50996939
5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 58896827
1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46234561
5-chloro-4-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 166240638
4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278426
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
CID 47982906
2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
CID 50996765

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine (CID 50995343) is 2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine is CCOc1ncc(-c2cnc3[nH]ccc3n2)c(NC2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine?
The InChIKey is HSAKOHADCPEPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3S/c1-3-28-18-21-9-13(15-10-20-17-14(23-15)6-7-19-17)16(24-18)22-12-5-4-8-25(11-12)29(2,26)27/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,20)(H,21,22,24).
What are the key properties of 2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine?
2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine has a molecular weight of 417.50 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 50995343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).