4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine

C24H27N7O2 — CID 42668955

IUPAC4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCOc1cccc(-c2nc(NCCN3CCOCC3)nc3nn(-c4ccccc4)c(N)c23)c1
InChIInChI=1S/C24H27N7O2/c1-32-19-9-5-6-17(16-19)21-20-22(25)31(18-7-3-2-4-8-18)29-23(20)28-24(27-21)26-10-11-30-12-14-33-15-13-30/h2-9,16H,10-15,25H2,1H3,(H,26,28,29)
InChIKeyDIOMVAXBRDCNSG-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.82
Rot. Bonds7

About 4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine

4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42668955) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42668955
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCOc1cccc(-c2nc(NCCN3CCOCC3)nc3nn(-c4ccccc4)c(N)c23)c1
InChIInChI=1S/C24H27N7O2/c1-32-19-9-5-6-17(16-19)21-20-22(25)31(18-7-3-2-4-8-18)29-23(20)28-24(27-21)26-10-11-30-12-14-33-15-13-30/h2-9,16H,10-15,25H2,1H3,(H,26,28,29)
InChIKeyDIOMVAXBRDCNSG-UHFFFAOYSA-N
XLogP2.82
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668968
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-(3-phenoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808508
4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668004
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667600
4-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669370
4-(3-chlorophenyl)-2-(4-methoxyphenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668636
6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808517
4-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667514
4-(2,3-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669189
2-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808519
2-(2,4-dichlorophenyl)-6-N-(2-morpholin-4-ylethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807899
4-(3-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668934

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42668955) is 4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine is COc1cccc(-c2nc(NCCN3CCOCC3)nc3nn(-c4ccccc4)c(N)c23)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is DIOMVAXBRDCNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-32-19-9-5-6-17(16-19)21-20-22(25)31(18-7-3-2-4-8-18)29-23(20)28-24(27-21)26-10-11-30-12-14-33-15-13-30/h2-9,16H,10-15,25H2,1H3,(H,26,28,29).
What are the key properties of 4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 445.53 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42668955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).