5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole

C25H24N8O — CID 90005922

IUPAC5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole
SMILESCn1ncc(-c2nn(C)c3ncnc(N4CC(c5ccno5)C4)c23)c1-c1ccc(C2CC2)cc1
InChIInChI=1S/C25H24N8O/c1-31-23(17-7-5-16(6-8-17)15-3-4-15)19(11-28-31)22-21-24(32(2)30-22)26-14-27-25(21)33-12-18(13-33)20-9-10-29-34-20/h5-11,14-15,18H,3-4,12-13H2,1-2H3
InChIKeyAKLHVQBHWZZEAH-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.90
Rot. Bonds5

About 5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole

5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole (PubChem CID 90005922) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole
PubChem CID90005922
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole
SMILESCn1ncc(-c2nn(C)c3ncnc(N4CC(c5ccno5)C4)c23)c1-c1ccc(C2CC2)cc1
InChIInChI=1S/C25H24N8O/c1-31-23(17-7-5-16(6-8-17)15-3-4-15)19(11-28-31)22-21-24(32(2)30-22)26-14-27-25(21)33-12-18(13-33)20-9-10-29-34-20/h5-11,14-15,18H,3-4,12-13H2,1-2H3
InChIKeyAKLHVQBHWZZEAH-UHFFFAOYSA-N
XLogP3.90
TPSA90.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole?
The IUPAC name of 5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole (CID 90005922) is 5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole is Cn1ncc(-c2nn(C)c3ncnc(N4CC(c5ccno5)C4)c23)c1-c1ccc(C2CC2)cc1.
What is the InChIKey of 5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole?
The InChIKey is AKLHVQBHWZZEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-31-23(17-7-5-16(6-8-17)15-3-4-15)19(11-28-31)22-21-24(32(2)30-22)26-14-27-25(21)33-12-18(13-33)20-9-10-29-34-20/h5-11,14-15,18H,3-4,12-13H2,1-2H3.
What are the key properties of 5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole?
5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole has a molecular weight of 452.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-[5-(4-cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole is sourced from PubChem (CID 90005922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).