2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide

C23H28N4O2 — CID 67209331

IUPAC2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide
SMILESCc1ccc(C(C)(C)NC(=O)COc2cc(C)c3c(C4CC4)nn(C)c3n2)cc1
InChIInChI=1S/C23H28N4O2/c1-14-6-10-17(11-7-14)23(3,4)25-18(28)13-29-19-12-15(2)20-21(16-8-9-16)26-27(5)22(20)24-19/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,25,28)
InChIKeyIEJCNGUGIZRCPY-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.89
Rot. Bonds6

About 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide

2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide (PubChem CID 67209331) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide
PubChem CID67209331
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide
SMILESCc1ccc(C(C)(C)NC(=O)COc2cc(C)c3c(C4CC4)nn(C)c3n2)cc1
InChIInChI=1S/C23H28N4O2/c1-14-6-10-17(11-7-14)23(3,4)25-18(28)13-29-19-12-15(2)20-21(16-8-9-16)26-27(5)22(20)24-19/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,25,28)
InChIKeyIEJCNGUGIZRCPY-UHFFFAOYSA-N
XLogP3.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide (CID 67209331) is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide is Cc1ccc(C(C)(C)NC(=O)COc2cc(C)c3c(C4CC4)nn(C)c3n2)cc1.
What is the InChIKey of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide?
The InChIKey is IEJCNGUGIZRCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-14-6-10-17(11-7-14)23(3,4)25-18(28)13-29-19-12-15(2)20-21(16-8-9-16)26-27(5)22(20)24-19/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,25,28).
What are the key properties of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide?
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[2-(4-methylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 67209331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).