(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine

C15H14FN5O — CID 94180497

IUPAC(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESFc1ccc([C@@H]2CN(c3ncnc4[nH]ncc34)CCO2)cc1
InChIInChI=1S/C15H14FN5O/c16-11-3-1-10(2-4-11)13-8-21(5-6-22-13)15-12-7-19-20-14(12)17-9-18-15/h1-4,7,9,13H,5-6,8H2,(H,17,18,19,20)/t13-/m0/s1
InChIKeyRWMQQEHOQCPVJB-ZDUSSCGKSA-N
MW299.31 g/mol
LogP2.07
Rot. Bonds2

About (2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine

(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine (PubChem CID 94180497) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
PubChem CID94180497
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESFc1ccc([C@@H]2CN(c3ncnc4[nH]ncc34)CCO2)cc1
InChIInChI=1S/C15H14FN5O/c16-11-3-1-10(2-4-11)13-8-21(5-6-22-13)15-12-7-19-20-14(12)17-9-18-15/h1-4,7,9,13H,5-6,8H2,(H,17,18,19,20)/t13-/m0/s1
InChIKeyRWMQQEHOQCPVJB-ZDUSSCGKSA-N
XLogP2.07
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of (2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine (CID 94180497) is (2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine is Fc1ccc([C@@H]2CN(c3ncnc4[nH]ncc34)CCO2)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is RWMQQEHOQCPVJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-11-3-1-10(2-4-11)13-8-21(5-6-22-13)15-12-7-19-20-14(12)17-9-18-15/h1-4,7,9,13H,5-6,8H2,(H,17,18,19,20)/t13-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 299.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 94180497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).