2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide

C22H23N5O2 — CID 141446547

IUPAC2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide
SMILESCc1[nH]nc2ncc(-c3ccc(C(C(N)=O)c4cc(C(C)(C)C)on4)cc3)cc12
InChIInChI=1S/C22H23N5O2/c1-12-16-9-15(11-24-21(16)26-25-12)13-5-7-14(8-6-13)19(20(23)28)17-10-18(29-27-17)22(2,3)4/h5-11,19H,1-4H3,(H2,23,28)(H,24,25,26)
InChIKeyGYGJYOMYYBVURU-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.84
Rot. Bonds4

About 2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide

2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide (PubChem CID 141446547) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide
PubChem CID141446547
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide
SMILESCc1[nH]nc2ncc(-c3ccc(C(C(N)=O)c4cc(C(C)(C)C)on4)cc3)cc12
InChIInChI=1S/C22H23N5O2/c1-12-16-9-15(11-24-21(16)26-25-12)13-5-7-14(8-6-13)19(20(23)28)17-10-18(29-27-17)22(2,3)4/h5-11,19H,1-4H3,(H2,23,28)(H,24,25,26)
InChIKeyGYGJYOMYYBVURU-UHFFFAOYSA-N
XLogP3.84
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide?
The IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide (CID 141446547) is 2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide is Cc1[nH]nc2ncc(-c3ccc(C(C(N)=O)c4cc(C(C)(C)C)on4)cc3)cc12.
What is the InChIKey of 2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide?
The InChIKey is GYGJYOMYYBVURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-12-16-9-15(11-24-21(16)26-25-12)13-5-7-14(8-6-13)19(20(23)28)17-10-18(29-27-17)22(2,3)4/h5-11,19H,1-4H3,(H2,23,28)(H,24,25,26).
What are the key properties of 2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide?
2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide is sourced from PubChem (CID 141446547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).