[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone

C17H21N5O2 — CID 126810159

IUPAC[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone
SMILESC[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc2nccnc2n1
InChIInChI=1S/C17H21N5O2/c1-12-15(21-8-10-24-11-9-21)4-7-22(12)17(23)14-3-2-13-16(20-14)19-6-5-18-13/h2-3,5-6,12,15H,4,7-11H2,1H3/t12-,15-/m1/s1
InChIKeyUFZWXEKKEOEGNY-IUODEOHRSA-N
MW327.39 g/mol
LogP0.96
Rot. Bonds2

About [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone

[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone (PubChem CID 126810159) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone
PubChem CID126810159
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone
SMILESC[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc2nccnc2n1
InChIInChI=1S/C17H21N5O2/c1-12-15(21-8-10-24-11-9-21)4-7-22(12)17(23)14-3-2-13-16(20-14)19-6-5-18-13/h2-3,5-6,12,15H,4,7-11H2,1H3/t12-,15-/m1/s1
InChIKeyUFZWXEKKEOEGNY-IUODEOHRSA-N
XLogP0.96
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone?
The IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone (CID 126810159) is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone.
What is the SMILES notation for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone?
The canonical SMILES for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone is C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc2nccnc2n1.
What is the InChIKey of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone?
The InChIKey is UFZWXEKKEOEGNY-IUODEOHRSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-15(21-8-10-24-11-9-21)4-7-22(12)17(23)14-3-2-13-16(20-14)19-6-5-18-13/h2-3,5-6,12,15H,4,7-11H2,1H3/t12-,15-/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone?
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone has a molecular weight of 327.39 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone is sourced from PubChem (CID 126810159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).