2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H22F3N5O — CID 71270783

IUPAC2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(N)cc(N3CCOCC3)nc2c1Cc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C20H22F3N5O/c1-12-14(4-3-5-16(12)20(21,22)23)10-15-13(2)26-28-17(24)11-18(25-19(15)28)27-6-8-29-9-7-27/h3-5,11H,6-10,24H2,1-2H3
InChIKeyGROIZZBAISYQPK-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.37
Rot. Bonds3

About 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71270783) has the molecular formula C20H22F3N5O and a molecular weight of 405.42 g/mol. Its IUPAC name is 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71270783
Molecular FormulaC20H22F3N5O
Molecular Weight405.42 g/mol
Exact Mass405.18
IUPAC Name2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(N)cc(N3CCOCC3)nc2c1Cc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C20H22F3N5O/c1-12-14(4-3-5-16(12)20(21,22)23)10-15-13(2)26-28-17(24)11-18(25-19(15)28)27-6-8-29-9-7-27/h3-5,11H,6-10,24H2,1-2H3
InChIKeyGROIZZBAISYQPK-UHFFFAOYSA-N
XLogP3.37
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 71270783) is 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nn2c(N)cc(N3CCOCC3)nc2c1Cc1cccc(C(F)(F)F)c1C.
What is the InChIKey of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GROIZZBAISYQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O/c1-12-14(4-3-5-16(12)20(21,22)23)10-15-13(2)26-28-17(24)11-18(25-19(15)28)27-6-8-29-9-7-27/h3-5,11H,6-10,24H2,1-2H3.
What are the key properties of 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 405.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71270783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).