3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol

C22H21N5O2 — CID 59807386

IUPAC3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol
SMILESCC1CN(c2nc(-c3cccc(O)c3)nc3c2cnn3-c2ccccc2)CCO1
InChIInChI=1S/C22H21N5O2/c1-15-14-26(10-11-29-15)21-19-13-23-27(17-7-3-2-4-8-17)22(19)25-20(24-21)16-6-5-9-18(28)12-16/h2-9,12-13,15,28H,10-11,14H2,1H3
InChIKeyVYWXTIPLQRKINW-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.41
Rot. Bonds3

About 3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol

3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol (PubChem CID 59807386) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol
PubChem CID59807386
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol
SMILESCC1CN(c2nc(-c3cccc(O)c3)nc3c2cnn3-c2ccccc2)CCO1
InChIInChI=1S/C22H21N5O2/c1-15-14-26(10-11-29-15)21-19-13-23-27(17-7-3-2-4-8-17)22(19)25-20(24-21)16-6-5-9-18(28)12-16/h2-9,12-13,15,28H,10-11,14H2,1H3
InChIKeyVYWXTIPLQRKINW-UHFFFAOYSA-N
XLogP3.41
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 2380610
6-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 1235469
3-[[4-(4-morpholin-4-yl-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenol
CID 141218936
4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 8009259
(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 95709255
4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
CID 4556262
4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 70702032
3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol
CID 44600808
4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191
methyl 4-[4-(2-methylmorpholin-4-yl)-6-[4-(pyridin-2-ylcarbamoylamino)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 68865108
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 123635804
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine
CID 129303181

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
The IUPAC name of 3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol (CID 59807386) is 3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol.
What is the SMILES notation for 3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
The canonical SMILES for 3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol is CC1CN(c2nc(-c3cccc(O)c3)nc3c2cnn3-c2ccccc2)CCO1.
What is the InChIKey of 3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
The InChIKey is VYWXTIPLQRKINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-14-26(10-11-29-15)21-19-13-23-27(17-7-3-2-4-8-17)22(19)25-20(24-21)16-6-5-9-18(28)12-16/h2-9,12-13,15,28H,10-11,14H2,1H3.
What are the key properties of 3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol?
3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol has a molecular weight of 387.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol is sourced from PubChem (CID 59807386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).