2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide

C23H17FN6O2 — CID 19485101

IUPAC2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide
SMILESCc1nn(CC(=O)Nc2nccc(-c3ccco3)n2)c2nccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H17FN6O2/c1-14-21-17(15-4-6-16(24)7-5-15)8-10-25-22(21)30(29-14)13-20(31)28-23-26-11-9-18(27-23)19-3-2-12-32-19/h2-12H,13H2,1H3,(H,26,27,28,31)
InChIKeySQVQHJJOZZXTRO-UHFFFAOYSA-N
MW428.43 g/mol
LogP4.23
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide

2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide (PubChem CID 19485101) has the molecular formula C23H17FN6O2 and a molecular weight of 428.43 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide
PubChem CID19485101
Molecular FormulaC23H17FN6O2
Molecular Weight428.43 g/mol
Exact Mass428.14
IUPAC Name2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide
SMILESCc1nn(CC(=O)Nc2nccc(-c3ccco3)n2)c2nccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H17FN6O2/c1-14-21-17(15-4-6-16(24)7-5-15)8-10-25-22(21)30(29-14)13-20(31)28-23-26-11-9-18(27-23)19-3-2-12-32-19/h2-12H,13H2,1H3,(H,26,27,28,31)
InChIKeySQVQHJJOZZXTRO-UHFFFAOYSA-N
XLogP4.23
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide (CID 19485101) is 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide is Cc1nn(CC(=O)Nc2nccc(-c3ccco3)n2)c2nccc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide?
The InChIKey is SQVQHJJOZZXTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O2/c1-14-21-17(15-4-6-16(24)7-5-15)8-10-25-22(21)30(29-14)13-20(31)28-23-26-11-9-18(27-23)19-3-2-12-32-19/h2-12H,13H2,1H3,(H,26,27,28,31).
What are the key properties of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide?
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide has a molecular weight of 428.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 19485101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).