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

C15H14ClN5O — CID 94032612

IUPAC(2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESClc1ccc([C@@H]2CN(c3ncnc4[nH]ncc34)CCO2)cc1
InChIInChI=1S/C15H14ClN5O/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
InChIKeyWJWQOOGNFNTKAB-ZDUSSCGKSA-N
MW315.76 g/mol
LogP2.58
Rot. Bonds2

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

(2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine (PubChem CID 94032612) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
PubChem CID94032612
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name(2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESClc1ccc([C@@H]2CN(c3ncnc4[nH]ncc34)CCO2)cc1
InChIInChI=1S/C15H14ClN5O/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
InChIKeyWJWQOOGNFNTKAB-ZDUSSCGKSA-N
XLogP2.58
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorobenzyl)-N-[2-(morpholin-4-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 1542100
4-[1-[(4-Chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
CID 929887
2-(4-Morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-1-phenylethanol
CID 11336323
2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 47023081
(2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 36722989
3-[4-[(2R)-2-phenylmorpholin-4-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 97847298
6-[(2S)-2-benzylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171359434
2-[(R)-[1-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-chloro-3-fluorophenyl)methoxy]-N,N-dimethylethanamine
CID 11649196
N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11661077
3-bromo-4-[4-[(R)-(4-chloro-3-fluorophenyl)-(2-pyrrolidin-1-ylethoxy)methyl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
CID 59774646
2-[[1-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-chloro-3-fluorophenyl)methoxy]-N,N-dimethylethanamine
CID 66696866
3-bromo-4-[4-[(4-chloro-3-fluorophenyl)-(2-pyrrolidin-1-ylethoxy)methyl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
CID 66696876

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine (CID 94032612) is (2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine is Clc1ccc([C@@H]2CN(c3ncnc4[nH]ncc34)CCO2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is WJWQOOGNFNTKAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14ClN5O/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-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
(2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 315.76 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 94032612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).