4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C22H19N7OS — CID 166064357

IUPAC4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5nccs5)cc4n3)n2)cc1
InChIInChI=1S/C22H19N7OS/c1-2-4-16(5-3-1)17-6-8-28(25-17)19-15-21(27-9-11-30-12-10-27)29-20(24-19)14-18(26-29)22-23-7-13-31-22/h1-8,13-15H,9-12H2
InChIKeyVRHFGYMPPVQCOA-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.54
Rot. Bonds4

About 4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 166064357) has the molecular formula C22H19N7OS and a molecular weight of 429.51 g/mol. Its IUPAC name is 4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID166064357
Molecular FormulaC22H19N7OS
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC Name4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5nccs5)cc4n3)n2)cc1
InChIInChI=1S/C22H19N7OS/c1-2-4-16(5-3-1)17-6-8-28(25-17)19-15-21(27-9-11-30-12-10-27)29-20(24-19)14-18(26-29)22-23-7-13-31-22/h1-8,13-15H,9-12H2
InChIKeyVRHFGYMPPVQCOA-UHFFFAOYSA-N
XLogP3.54
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 166064357) is 4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is c1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5nccs5)cc4n3)n2)cc1.
What is the InChIKey of 4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is VRHFGYMPPVQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7OS/c1-2-4-16(5-3-1)17-6-8-28(25-17)19-15-21(27-9-11-30-12-10-27)29-20(24-19)14-18(26-29)22-23-7-13-31-22/h1-8,13-15H,9-12H2.
What are the key properties of 4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 429.51 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-phenylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 166064357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).