4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C16H16ClN5O — CID 42670657

IUPAC4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)c2cnn(-c3ccccc3Cl)c2n1
InChIInChI=1S/C16H16ClN5O/c1-11-19-15(21-6-8-23-9-7-21)12-10-18-22(16(12)20-11)14-5-3-2-4-13(14)17/h2-5,10H,6-9H2,1H3
InChIKeyGVDMUVZZVXVDQF-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.61
Rot. Bonds2

About 4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 42670657) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID42670657
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)c2cnn(-c3ccccc3Cl)c2n1
InChIInChI=1S/C16H16ClN5O/c1-11-19-15(21-6-8-23-9-7-21)12-10-18-22(16(12)20-11)14-5-3-2-4-13(14)17/h2-5,10H,6-9H2,1H3
InChIKeyGVDMUVZZVXVDQF-UHFFFAOYSA-N
XLogP2.61
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-6-cyclohexyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 42672634
1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 42671902
4-[4-(benzenesulfonyl)piperazin-1-yl]-1-(2-chlorophenyl)-6-cyclopropylpyrazolo[5,4-d]pyrimidine
CID 42672036
4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 8009259
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
1-[4-[1-(2-chlorophenyl)-6-(methoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 42673909
1-[4-[1-(2-chlorophenyl)-6-(methoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 42673922
4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
CID 4556262
1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile
CID 10426145
4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
CID 170093134
(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 2380610
cyclopentyl-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42671820

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 42670657) is 4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)c2cnn(-c3ccccc3Cl)c2n1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is GVDMUVZZVXVDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-11-19-15(21-6-8-23-9-7-21)12-10-18-22(16(12)20-11)14-5-3-2-4-13(14)17/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 329.79 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 42670657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).