[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone

C31H42N6O3 — CID 168803185

IUPAC[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone
SMILESCc1nc2nc(C)c(O[C@@H]3CCN(c4ccc(C5CCC(C(=O)N6C[C@@H](C)O[C@H](C)C6)CC5)cc4)C3)c(C)n2n1
InChIInChI=1S/C31H42N6O3/c1-19-16-36(17-20(2)39-19)30(38)26-8-6-24(7-9-26)25-10-12-27(13-11-25)35-15-14-28(18-35)40-29-21(3)32-31-33-23(5)34-37(31)22(29)4/h10-13,19-20,24,26,28H,6-9,14-18H2,1-5H3/t19-,20-,24?,26?,28-/m1/s1
InChIKeyUWLRSFPAWCABFQ-CSQCORFZSA-N
MW546.72 g/mol
LogP4.62
Rot. Bonds5

About [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone (PubChem CID 168803185) has the molecular formula C31H42N6O3 and a molecular weight of 546.72 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone
PubChem CID168803185
Molecular FormulaC31H42N6O3
Molecular Weight546.72 g/mol
Exact Mass546.33
IUPAC Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone
SMILESCc1nc2nc(C)c(O[C@@H]3CCN(c4ccc(C5CCC(C(=O)N6C[C@@H](C)O[C@H](C)C6)CC5)cc4)C3)c(C)n2n1
InChIInChI=1S/C31H42N6O3/c1-19-16-36(17-20(2)39-19)30(38)26-8-6-24(7-9-26)25-10-12-27(13-11-25)35-15-14-28(18-35)40-29-21(3)32-31-33-23(5)34-37(31)22(29)4/h10-13,19-20,24,26,28H,6-9,14-18H2,1-5H3/t19-,20-,24?,26?,28-/m1/s1
InChIKeyUWLRSFPAWCABFQ-CSQCORFZSA-N
XLogP4.62
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.72
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone 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

(3-methoxyazetidin-1-yl)-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone
CID 162360828
(3-hydroxypyrrolidin-1-yl)-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone
CID 168803198
[(6S)-6-methyl-1,4-oxazepan-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone
CID 168803220
[(3R)-3-methylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone
CID 168803211
N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide
CID 162360846
4-[[5-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyrimidin-2-yl]methyl]morpholine
CID 146252897
4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine
CID 162360872
N,N-dimethyl-1-[[6-[4-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidin-3-amine
CID 168803192
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone
CID 45185896
butane;1-(4-cyclohexylphenyl)pyrrolidine;ethane;ethene;6-ethyl-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;propane
CID 162360877
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 97212136

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone (CID 168803185) is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone is Cc1nc2nc(C)c(O[C@@H]3CCN(c4ccc(C5CCC(C(=O)N6C[C@@H](C)O[C@H](C)C6)CC5)cc4)C3)c(C)n2n1.
What is the InChIKey of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone?
The InChIKey is UWLRSFPAWCABFQ-CSQCORFZSA-N. The full InChI is InChI=1S/C31H42N6O3/c1-19-16-36(17-20(2)39-19)30(38)26-8-6-24(7-9-26)25-10-12-27(13-11-25)35-15-14-28(18-35)40-29-21(3)32-31-33-23(5)34-37(31)22(29)4/h10-13,19-20,24,26,28H,6-9,14-18H2,1-5H3/t19-,20-,24?,26?,28-/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone?
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone has a molecular weight of 546.72 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]cyclohexyl]methanone is sourced from PubChem (CID 168803185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).