(2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C19H25F3N4O — CID 162723848

IUPAC(2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc([C@@H]2CNC[C@H](C)O2)n2nc(C3CCC(C(F)(F)F)CC3)cc2n1
InChIInChI=1S/C19H25F3N4O/c1-11-7-16(17-10-23-9-12(2)27-17)26-18(24-11)8-15(25-26)13-3-5-14(6-4-13)19(20,21)22/h7-8,12-14,17,23H,3-6,9-10H2,1-2H3/t12-,13?,14?,17-/m0/s1
InChIKeyOFHLBTBFWJRUIK-VWLISTAJSA-N
MW382.43 g/mol
LogP3.92
Rot. Bonds2

About (2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

(2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 162723848) has the molecular formula C19H25F3N4O and a molecular weight of 382.43 g/mol. Its IUPAC name is (2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name(2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID162723848
Molecular FormulaC19H25F3N4O
Molecular Weight382.43 g/mol
Exact Mass382.20
IUPAC Name(2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc([C@@H]2CNC[C@H](C)O2)n2nc(C3CCC(C(F)(F)F)CC3)cc2n1
InChIInChI=1S/C19H25F3N4O/c1-11-7-16(17-10-23-9-12(2)27-17)26-18(24-11)8-15(25-26)13-3-5-14(6-4-13)19(20,21)22/h7-8,12-14,17,23H,3-6,9-10H2,1-2H3/t12-,13?,14?,17-/m0/s1
InChIKeyOFHLBTBFWJRUIK-VWLISTAJSA-N
XLogP3.92
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of (2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 162723848) is (2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for (2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for (2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cc([C@@H]2CNC[C@H](C)O2)n2nc(C3CCC(C(F)(F)F)CC3)cc2n1.
What is the InChIKey of (2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is OFHLBTBFWJRUIK-VWLISTAJSA-N. The full InChI is InChI=1S/C19H25F3N4O/c1-11-7-16(17-10-23-9-12(2)27-17)26-18(24-11)8-15(25-26)13-3-5-14(6-4-13)19(20,21)22/h7-8,12-14,17,23H,3-6,9-10H2,1-2H3/t12-,13?,14?,17-/m0/s1.
What are the key properties of (2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
(2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 382.43 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-6-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 162723848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).