4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine

C27H28N4O4S — CID 118664793

IUPAC4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine
SMILESCS(=O)(=O)c1cccc(-c2cnn3cc(-c4ccc(OC5(CN6CCOCC6)CC5)cc4)cnc23)c1
InChIInChI=1S/C27H28N4O4S/c1-36(32,33)24-4-2-3-21(15-24)25-17-29-31-18-22(16-28-26(25)31)20-5-7-23(8-6-20)35-27(9-10-27)19-30-11-13-34-14-12-30/h2-8,15-18H,9-14,19H2,1H3
InChIKeyFEKCYVUMVSZHCU-UHFFFAOYSA-N
MW504.61 g/mol
LogP3.71
Rot. Bonds7

About 4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine

4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine (PubChem CID 118664793) has the molecular formula C27H28N4O4S and a molecular weight of 504.61 g/mol. Its IUPAC name is 4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine
PubChem CID118664793
Molecular FormulaC27H28N4O4S
Molecular Weight504.61 g/mol
Exact Mass504.18
IUPAC Name4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine
SMILESCS(=O)(=O)c1cccc(-c2cnn3cc(-c4ccc(OC5(CN6CCOCC6)CC5)cc4)cnc23)c1
InChIInChI=1S/C27H28N4O4S/c1-36(32,33)24-4-2-3-21(15-24)25-17-29-31-18-22(16-28-26(25)31)20-5-7-23(8-6-20)35-27(9-10-27)19-30-11-13-34-14-12-30/h2-8,15-18H,9-14,19H2,1H3
InChIKeyFEKCYVUMVSZHCU-UHFFFAOYSA-N
XLogP3.71
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Dorsomorphin
CID 11524144
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
1-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)piperidine
CID 5329450
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
4-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
CID 5329446
4-(2-{3-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
CID 5329448
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
Dimethyl(3-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}propyl)amine
CID 5329449
Benzyl(2-methoxyethyl)(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)amine
CID 5329451
7-cyclohexyl-6-[4-(3-methylsulfonylphenoxy)phenyl]-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958027
N,N-diethyl-2-(4-(3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethanamine
CID 44223352
6-(4-(2-(4-Methylpiperazin-1-yl)ethoxy)phenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44577680

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine?
The IUPAC name of 4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine (CID 118664793) is 4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine?
The canonical SMILES for 4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine is CS(=O)(=O)c1cccc(-c2cnn3cc(-c4ccc(OC5(CN6CCOCC6)CC5)cc4)cnc23)c1.
What is the InChIKey of 4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine?
The InChIKey is FEKCYVUMVSZHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4S/c1-36(32,33)24-4-2-3-21(15-24)25-17-29-31-18-22(16-28-26(25)31)20-5-7-23(8-6-20)35-27(9-10-27)19-30-11-13-34-14-12-30/h2-8,15-18H,9-14,19H2,1H3.
What are the key properties of 4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine?
4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine has a molecular weight of 504.61 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-[3-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]cyclopropyl]methyl]morpholine is sourced from PubChem (CID 118664793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).