(2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine

C22H34N4O — CID 162723889

IUPAC(2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine
SMILESCc1cc([C@H]2CN[C@@H](C)CO2)n2nc(C3CCC(C(C)(C)C)CC3)cc2n1
InChIInChI=1S/C22H34N4O/c1-14-10-19(20-12-23-15(2)13-27-20)26-21(24-14)11-18(25-26)16-6-8-17(9-7-16)22(3,4)5/h10-11,15-17,20,23H,6-9,12-13H2,1-5H3/t15-,16?,17?,20+/m0/s1
InChIKeyIOEPEUSICCCRSV-MVBPIPQGSA-N
MW370.54 g/mol
LogP4.41
Rot. Bonds2

About (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine

(2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine (PubChem CID 162723889) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine.

Molecular Properties

Compound Name(2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine
PubChem CID162723889
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name(2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine
SMILESCc1cc([C@H]2CN[C@@H](C)CO2)n2nc(C3CCC(C(C)(C)C)CC3)cc2n1
InChIInChI=1S/C22H34N4O/c1-14-10-19(20-12-23-15(2)13-27-20)26-21(24-14)11-18(25-26)16-6-8-17(9-7-16)22(3,4)5/h10-11,15-17,20,23H,6-9,12-13H2,1-5H3/t15-,16?,17?,20+/m0/s1
InChIKeyIOEPEUSICCCRSV-MVBPIPQGSA-N
XLogP4.41
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[5-methyl-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 169049574
trideuteriomethyl (2S)-2-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine-4-carboxylate
CID 169049540
propan-2-yl (2R)-2-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine-4-carboxylate
CID 162724040
7-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 146491583
1-methyl-3-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one
CID 169049529
5,6-dimethyl-7-[(3S,4S)-4-methylpiperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 162724005
methyl (3S)-3-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 162724032
7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269835
7-chloro-2-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269836
6-ethyl-5-methyl-7-[(3S,4S)-4-methylpiperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 169049578
7-chloro-2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82269862
propan-2-yl (3S,4R)-4-methyl-3-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 162724139

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine?
The IUPAC name of (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine (CID 162723889) is (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine.
What is the SMILES notation for (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine?
The canonical SMILES for (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine is Cc1cc([C@H]2CN[C@@H](C)CO2)n2nc(C3CCC(C(C)(C)C)CC3)cc2n1.
What is the InChIKey of (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine?
The InChIKey is IOEPEUSICCCRSV-MVBPIPQGSA-N. The full InChI is InChI=1S/C22H34N4O/c1-14-10-19(20-12-23-15(2)13-27-20)26-21(24-14)11-18(25-26)16-6-8-17(9-7-16)22(3,4)5/h10-11,15-17,20,23H,6-9,12-13H2,1-5H3/t15-,16?,17?,20+/m0/s1.
What are the key properties of (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine?
(2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine has a molecular weight of 370.54 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine is sourced from PubChem (CID 162723889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).