4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine

C22H21N5O2 — CID 141347004

IUPAC4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine
SMILESCOc1cccc(-c2ncc3c(cnn3-c3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C22H21N5O2/c1-28-19-4-2-3-16(13-19)22-23-15-21-20(25-22)14-24-27(21)18-7-5-17(6-8-18)26-9-11-29-12-10-26/h2-8,13-15H,9-12H2,1H3
InChIKeyWWIFMMJZWBPFNK-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.33
Rot. Bonds4

About 4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine

4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine (PubChem CID 141347004) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine
PubChem CID141347004
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine
SMILESCOc1cccc(-c2ncc3c(cnn3-c3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C22H21N5O2/c1-28-19-4-2-3-16(13-19)22-23-15-21-20(25-22)14-24-27(21)18-7-5-17(6-8-18)26-9-11-29-12-10-26/h2-8,13-15H,9-12H2,1H3
InChIKeyWWIFMMJZWBPFNK-UHFFFAOYSA-N
XLogP3.33
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine
CID 71273468
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052
7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
CID 24801484
4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 150401923
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
4-[1-(4-methoxyphenyl)benzimidazol-5-yl]morpholine
CID 164852088
4-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine
CID 86342378
4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922588
2-[3-(methylsulfanylmethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 144572813
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 114797795

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine (CID 141347004) is 4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine is COc1cccc(-c2ncc3c(cnn3-c3ccc(N4CCOCC4)cc3)n2)c1.
What is the InChIKey of 4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine?
The InChIKey is WWIFMMJZWBPFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-28-19-4-2-3-16(13-19)22-23-15-21-20(25-22)14-24-27(21)18-7-5-17(6-8-18)26-9-11-29-12-10-26/h2-8,13-15H,9-12H2,1H3.
What are the key properties of 4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine?
4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine has a molecular weight of 387.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]phenyl]morpholine is sourced from PubChem (CID 141347004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).