N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide

C22H16F2N6O2 — CID 59528152

IUPACN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(NC(=O)Cc5ccc(F)cc5)c4cc3F)c2c1
InChIInChI=1S/C22H16F2N6O2/c1-32-14-6-7-30-18(9-14)16(11-25-30)20-17(24)10-15-21(28-29-22(15)27-20)26-19(31)8-12-2-4-13(23)5-3-12/h2-7,9-11H,8H2,1H3,(H2,26,27,28,29,31)
InChIKeyFZQQSOMTSPNCRB-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.74
Rot. Bonds5

About N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide

N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 59528152) has the molecular formula C22H16F2N6O2 and a molecular weight of 434.41 g/mol. Its IUPAC name is N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID59528152
Molecular FormulaC22H16F2N6O2
Molecular Weight434.41 g/mol
Exact Mass434.13
IUPAC NameN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(NC(=O)Cc5ccc(F)cc5)c4cc3F)c2c1
InChIInChI=1S/C22H16F2N6O2/c1-32-14-6-7-30-18(9-14)16(11-25-30)20-17(24)10-15-21(28-29-22(15)27-20)26-19(31)8-12-2-4-13(23)5-3-12/h2-7,9-11H,8H2,1H3,(H2,26,27,28,29,31)
InChIKeyFZQQSOMTSPNCRB-UHFFFAOYSA-N
XLogP3.74
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide (CID 59528152) is N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide is COc1ccn2ncc(-c3nc4[nH]nc(NC(=O)Cc5ccc(F)cc5)c4cc3F)c2c1.
What is the InChIKey of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FZQQSOMTSPNCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O2/c1-32-14-6-7-30-18(9-14)16(11-25-30)20-17(24)10-15-21(28-29-22(15)27-20)26-19(31)8-12-2-4-13(23)5-3-12/h2-7,9-11H,8H2,1H3,(H2,26,27,28,29,31).
What are the key properties of N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide?
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 434.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 59528152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).