(3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

C20H18F3N7O — CID 168678888

IUPAC(3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cccnc2C(F)(F)F)n2ncc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C20H18F3N7O/c1-12-11-31-8-7-29(12)17-9-16(13-3-2-5-24-18(13)20(21,22)23)30-19(27-17)14(10-26-30)15-4-6-25-28-15/h2-6,9-10,12H,7-8,11H2,1H3,(H,25,28)/t12-/m1/s1
InChIKeyZQHYMLVDLNNXMY-GFCCVEGCSA-N
MW429.41 g/mol
LogP3.43
Rot. Bonds3

About (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

(3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (PubChem CID 168678888) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
PubChem CID168678888
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC Name(3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cccnc2C(F)(F)F)n2ncc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C20H18F3N7O/c1-12-11-31-8-7-29(12)17-9-16(13-3-2-5-24-18(13)20(21,22)23)30-19(27-17)14(10-26-30)15-4-6-25-28-15/h2-6,9-10,12H,7-8,11H2,1H3,(H,25,28)/t12-/m1/s1
InChIKeyZQHYMLVDLNNXMY-GFCCVEGCSA-N
XLogP3.43
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (CID 168678888) is (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is C[C@@H]1COCCN1c1cc(-c2cccnc2C(F)(F)F)n2ncc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The InChIKey is ZQHYMLVDLNNXMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-12-11-31-8-7-29(12)17-9-16(13-3-2-5-24-18(13)20(21,22)23)30-19(27-17)14(10-26-30)15-4-6-25-28-15/h2-6,9-10,12H,7-8,11H2,1H3,(H,25,28)/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
(3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine has a molecular weight of 429.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is sourced from PubChem (CID 168678888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).