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

C16H16ClN5O2 — CID 70702026

IUPAC4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine
SMILESCn1ncc2c(Oc3ccc(Cl)cc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C16H16ClN5O2/c1-21-14-13(10-18-21)15(24-12-4-2-11(17)3-5-12)20-16(19-14)22-6-8-23-9-7-22/h2-5,10H,6-9H2,1H3
InChIKeyDPONOOWVEPHDDN-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.65
Rot. Bonds3

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

4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine (PubChem CID 70702026) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine
PubChem CID70702026
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine
SMILESCn1ncc2c(Oc3ccc(Cl)cc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C16H16ClN5O2/c1-21-14-13(10-18-21)15(24-12-4-2-11(17)3-5-12)20-16(19-14)22-6-8-23-9-7-22/h2-5,10H,6-9H2,1H3
InChIKeyDPONOOWVEPHDDN-UHFFFAOYSA-N
XLogP2.65
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-((3-Chlorophenoxy)methyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 53472153
1-Tert-Butyl-3-(3-Chlorophenoxy)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633812
3-(3-Chlorophenoxy)-1-[(Piperidin-4-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129012139
1-{4-[1-(3-Chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-yl]piperazinyl}-2-methoxybe nzene
CID 16033917
4-[4-(2-Fluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 57964891
4-[4-(4-Fluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 57965062
3-(3-Chlorophenoxy)-1-[(1-methylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 130431659
3-(3-Chlorophenoxy)-1-[(3,3-difluoropiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 130431660
3-(3-Chlorophenoxy)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 130431670
3-(3-Chlorophenoxy)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 130431673
3-(3-Chloro-4-fluorophenoxy)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 130431683
3-(3-Chlorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 130431688

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
The IUPAC name of 4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine (CID 70702026) is 4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
The canonical SMILES for 4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine is Cn1ncc2c(Oc3ccc(Cl)cc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
The InChIKey is DPONOOWVEPHDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-21-14-13(10-18-21)15(24-12-4-2-11(17)3-5-12)20-16(19-14)22-6-8-23-9-7-22/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine has a molecular weight of 345.79 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine is sourced from PubChem (CID 70702026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).