(2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine

C14H14N6O — CID 95816925

IUPAC(2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine
SMILESc1cnc2n[nH]c([C@@H]3CN(c4cnccn4)CCO3)c2c1
InChIInChI=1S/C14H14N6O/c1-2-10-13(18-19-14(10)17-3-1)11-9-20(6-7-21-11)12-8-15-4-5-16-12/h1-5,8,11H,6-7,9H2,(H,17,18,19)/t11-/m0/s1
InChIKeyANPAVXYXHBGZOD-NSHDSACASA-N
MW282.31 g/mol
LogP1.33
Rot. Bonds2

About (2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine

(2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine (PubChem CID 95816925) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is (2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine
PubChem CID95816925
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name(2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine
SMILESc1cnc2n[nH]c([C@@H]3CN(c4cnccn4)CCO3)c2c1
InChIInChI=1S/C14H14N6O/c1-2-10-13(18-19-14(10)17-3-1)11-9-20(6-7-21-11)12-8-15-4-5-16-12/h1-5,8,11H,6-7,9H2,(H,17,18,19)/t11-/m0/s1
InChIKeyANPAVXYXHBGZOD-NSHDSACASA-N
XLogP1.33
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine?
The IUPAC name of (2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine (CID 95816925) is (2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine.
What is the SMILES notation for (2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine?
The canonical SMILES for (2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine is c1cnc2n[nH]c([C@@H]3CN(c4cnccn4)CCO3)c2c1.
What is the InChIKey of (2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine?
The InChIKey is ANPAVXYXHBGZOD-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N6O/c1-2-10-13(18-19-14(10)17-3-1)11-9-20(6-7-21-11)12-8-15-4-5-16-12/h1-5,8,11H,6-7,9H2,(H,17,18,19)/t11-/m0/s1.
What are the key properties of (2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine?
(2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine has a molecular weight of 282.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-pyrazin-2-yl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)morpholine is sourced from PubChem (CID 95816925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).