4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

C22H25F2N9O — CID 170733171

IUPAC4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESFC(F)c1nn(C2CCCCC2)cc1-n1cc(-c2cnn3ccc(N4CCOCC4)nc23)nn1
InChIInChI=1S/C22H25F2N9O/c23-21(24)20-18(14-32(28-20)15-4-2-1-3-5-15)33-13-17(27-29-33)16-12-25-31-7-6-19(26-22(16)31)30-8-10-34-11-9-30/h6-7,12-15,21H,1-5,8-11H2
InChIKeyVYFPYUTVHVPVRB-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.45
Rot. Bonds5

About 4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (PubChem CID 170733171) has the molecular formula C22H25F2N9O and a molecular weight of 469.50 g/mol. Its IUPAC name is 4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
PubChem CID170733171
Molecular FormulaC22H25F2N9O
Molecular Weight469.50 g/mol
Exact Mass469.22
IUPAC Name4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESFC(F)c1nn(C2CCCCC2)cc1-n1cc(-c2cnn3ccc(N4CCOCC4)nc23)nn1
InChIInChI=1S/C22H25F2N9O/c23-21(24)20-18(14-32(28-20)15-4-2-1-3-5-15)33-13-17(27-29-33)16-12-25-31-7-6-19(26-22(16)31)30-8-10-34-11-9-30/h6-7,12-15,21H,1-5,8-11H2
InChIKeyVYFPYUTVHVPVRB-UHFFFAOYSA-N
XLogP3.45
TPSA91.19 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The IUPAC name of 4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (CID 170733171) is 4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.
What is the SMILES notation for 4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The canonical SMILES for 4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is FC(F)c1nn(C2CCCCC2)cc1-n1cc(-c2cnn3ccc(N4CCOCC4)nc23)nn1.
What is the InChIKey of 4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The InChIKey is VYFPYUTVHVPVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N9O/c23-21(24)20-18(14-32(28-20)15-4-2-1-3-5-15)33-13-17(27-29-33)16-12-25-31-7-6-19(26-22(16)31)30-8-10-34-11-9-30/h6-7,12-15,21H,1-5,8-11H2.
What are the key properties of 4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine has a molecular weight of 469.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is sourced from PubChem (CID 170733171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).