2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide

C22H23FN4O2 — CID 67209531

IUPAC2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCc1cc(OCC(=O)NC2CCc3cc(F)ccc32)nc2c1c(C1CC1)nn2C
InChIInChI=1S/C22H23FN4O2/c1-12-9-19(25-22-20(12)21(13-3-4-13)26-27(22)2)29-11-18(28)24-17-8-5-14-10-15(23)6-7-16(14)17/h6-7,9-10,13,17H,3-5,8,11H2,1-2H3,(H,24,28)
InChIKeyDXSBCJXIJBYUOU-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.48
Rot. Bonds5

About 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide

2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 67209531) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID67209531
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCc1cc(OCC(=O)NC2CCc3cc(F)ccc32)nc2c1c(C1CC1)nn2C
InChIInChI=1S/C22H23FN4O2/c1-12-9-19(25-22-20(12)21(13-3-4-13)26-27(22)2)29-11-18(28)24-17-8-5-14-10-15(23)6-7-16(14)17/h6-7,9-10,13,17H,3-5,8,11H2,1-2H3,(H,24,28)
InChIKeyDXSBCJXIJBYUOU-UHFFFAOYSA-N
XLogP3.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.48
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-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide (CID 67209531) is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide is Cc1cc(OCC(=O)NC2CCc3cc(F)ccc32)nc2c1c(C1CC1)nn2C.
What is the InChIKey of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is DXSBCJXIJBYUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-12-9-19(25-22-20(12)21(13-3-4-13)26-27(22)2)29-11-18(28)24-17-8-5-14-10-15(23)6-7-16(14)17/h6-7,9-10,13,17H,3-5,8,11H2,1-2H3,(H,24,28).
What are the key properties of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide?
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.48, 5 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-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 67209531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).