(2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C18H22F4N4O — CID 162723822

IUPAC(2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc([C@@H]2CNCCO2)n2nc(C3CCC(C(F)(F)F)CC3)c(F)c2n1
InChIInChI=1S/C18H22F4N4O/c1-10-8-13(14-9-23-6-7-27-14)26-17(24-10)15(19)16(25-26)11-2-4-12(5-3-11)18(20,21)22/h8,11-12,14,23H,2-7,9H2,1H3/t11?,12?,14-/m0/s1
InChIKeyGTZNMXCMSHMBLC-YIZWMMSDSA-N
MW386.39 g/mol
LogP3.67
Rot. Bonds2

About (2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

(2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 162723822) has the molecular formula C18H22F4N4O and a molecular weight of 386.39 g/mol. Its IUPAC name is (2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID162723822
Molecular FormulaC18H22F4N4O
Molecular Weight386.39 g/mol
Exact Mass386.17
IUPAC Name(2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc([C@@H]2CNCCO2)n2nc(C3CCC(C(F)(F)F)CC3)c(F)c2n1
InChIInChI=1S/C18H22F4N4O/c1-10-8-13(14-9-23-6-7-27-14)26-17(24-10)15(19)16(25-26)11-2-4-12(5-3-11)18(20,21)22/h8,11-12,14,23H,2-7,9H2,1H3/t11?,12?,14-/m0/s1
InChIKeyGTZNMXCMSHMBLC-YIZWMMSDSA-N
XLogP3.67
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of (2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 162723822) is (2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for (2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for (2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cc([C@@H]2CNCCO2)n2nc(C3CCC(C(F)(F)F)CC3)c(F)c2n1.
What is the InChIKey of (2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is GTZNMXCMSHMBLC-YIZWMMSDSA-N. The full InChI is InChI=1S/C18H22F4N4O/c1-10-8-13(14-9-23-6-7-27-14)26-17(24-10)15(19)16(25-26)11-2-4-12(5-3-11)18(20,21)22/h8,11-12,14,23H,2-7,9H2,1H3/t11?,12?,14-/m0/s1.
What are the key properties of (2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
(2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 386.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-fluoro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 162723822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).