N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H24N8O2 — CID 66556983

IUPACN-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CN(Cc4cc(C)on4)C3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C25H24N8O2/c1-16-4-6-20(7-5-16)33-23(28-25(34)21-12-27-32-9-3-8-26-24(21)32)11-22(29-33)18-13-31(14-18)15-19-10-17(2)35-30-19/h3-12,18H,13-15H2,1-2H3,(H,28,34)
InChIKeyWCWFBYXVDUYHIW-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.37
Rot. Bonds6

About N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66556983) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66556983
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC NameN-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CN(Cc4cc(C)on4)C3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C25H24N8O2/c1-16-4-6-20(7-5-16)33-23(28-25(34)21-12-27-32-9-3-8-26-24(21)32)11-22(29-33)18-13-31(14-18)15-19-10-17(2)35-30-19/h3-12,18H,13-15H2,1-2H3,(H,28,34)
InChIKeyWCWFBYXVDUYHIW-UHFFFAOYSA-N
XLogP3.37
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66556983) is N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CN(Cc4cc(C)on4)C3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WCWFBYXVDUYHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-16-4-6-20(7-5-16)33-23(28-25(34)21-12-27-32-9-3-8-26-24(21)32)11-22(29-33)18-13-31(14-18)15-19-10-17(2)35-30-19/h3-12,18H,13-15H2,1-2H3,(H,28,34).
What are the key properties of N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66556983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).