5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine

C22H26FN7O — CID 59528133

IUPAC5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(N(C)CCN5CCCCC5)c4cc3F)c2c1
InChIInChI=1S/C22H26FN7O/c1-28(10-11-29-7-4-3-5-8-29)22-16-13-18(23)20(25-21(16)26-27-22)17-14-24-30-9-6-15(31-2)12-19(17)30/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3,(H,25,26,27)
InChIKeyXKKFSUCLHKBZGD-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.34
Rot. Bonds6

About 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine

5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 59528133) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID59528133
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(N(C)CCN5CCCCC5)c4cc3F)c2c1
InChIInChI=1S/C22H26FN7O/c1-28(10-11-29-7-4-3-5-8-29)22-16-13-18(23)20(25-21(16)26-27-22)17-14-24-30-9-6-15(31-2)12-19(17)30/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3,(H,25,26,27)
InChIKeyXKKFSUCLHKBZGD-UHFFFAOYSA-N
XLogP3.34
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine (CID 59528133) is 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine is COc1ccn2ncc(-c3nc4[nH]nc(N(C)CCN5CCCCC5)c4cc3F)c2c1.
What is the InChIKey of 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is XKKFSUCLHKBZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-28(10-11-29-7-4-3-5-8-29)22-16-13-18(23)20(25-21(16)26-27-22)17-14-24-30-9-6-15(31-2)12-19(17)30/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3,(H,25,26,27).
What are the key properties of 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 423.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 59528133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).