N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C22H22N6O2 — CID 17016776

IUPACN-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C22H22N6O2/c1-29-18-9-7-16(8-10-18)24-20-19-15-23-28(17-5-3-2-4-6-17)21(19)26-22(25-20)27-11-13-30-14-12-27/h2-10,15H,11-14H2,1H3,(H,24,25,26)
InChIKeyXYZDJJIFWCVFCY-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.40
Rot. Bonds5

About N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 17016776) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID17016776
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C22H22N6O2/c1-29-18-9-7-16(8-10-18)24-20-19-15-23-28(17-5-3-2-4-6-17)21(19)26-22(25-20)27-11-13-30-14-12-27/h2-10,15H,11-14H2,1H3,(H,24,25,26)
InChIKeyXYZDJJIFWCVFCY-UHFFFAOYSA-N
XLogP3.40
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016765
N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017174
N-(4-methylphenyl)-1-phenyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17016838
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
4-N-(4-methoxyphenyl)-6-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27443533
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017200
4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
CID 4556262
(6-morpholin-4-yl-1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
CID 170724777
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
1-(4-methoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069951
6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795108
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017143

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 17016776) is N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XYZDJJIFWCVFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-29-18-9-7-16(8-10-18)24-20-19-15-23-28(17-5-3-2-4-6-17)21(19)26-22(25-20)27-11-13-30-14-12-27/h2-10,15H,11-14H2,1H3,(H,24,25,26).
What are the key properties of N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 402.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 17016776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).