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

C22H16F2N6O2 — CID 68559121

IUPACN-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(3-fluorophenyl)acetamide
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(NC(=O)Cc5cccc(F)c5)c4cc3F)c2c1
InChIInChI=1S/C22H16F2N6O2/c1-32-14-5-6-30-18(9-14)16(11-25-30)20-17(24)10-15-21(28-29-22(15)27-20)26-19(31)8-12-3-2-4-13(23)7-12/h2-7,9-11H,8H2,1H3,(H2,26,27,28,29,31)
InChIKeyULBKPMKUJOOILS-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-(3-fluorophenyl)acetamide

N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 68559121) 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-(3-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-(3-fluorophenyl)acetamide
PubChem CID68559121
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-(3-fluorophenyl)acetamide
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(NC(=O)Cc5cccc(F)c5)c4cc3F)c2c1
InChIInChI=1S/C22H16F2N6O2/c1-32-14-5-6-30-18(9-14)16(11-25-30)20-17(24)10-15-21(28-29-22(15)27-20)26-19(31)8-12-3-2-4-13(23)7-12/h2-7,9-11H,8H2,1H3,(H2,26,27,28,29,31)
InChIKeyULBKPMKUJOOILS-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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Related Compounds

N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 46183700
4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
CID 46183699
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide
CID 70259320
N-[6-(2-fluorophenyl)-1H-indazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 69061853
5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide
CID 143779921
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027442
N-[amino-[2-amino-5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-pyridinyl]methylidene]cyclopropanecarboxamide
CID 143953052
2-[3-(3-fluorophenyl)-1H-indazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22260918
3-(3-fluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanamide
CID 175599487
2-(3-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)acetamide
CID 71919212
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591

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-(3-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-(3-fluorophenyl)acetamide (CID 68559121) is N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(3-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-(3-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-(3-fluorophenyl)acetamide is COc1ccn2ncc(-c3nc4[nH]nc(NC(=O)Cc5cccc(F)c5)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-(3-fluorophenyl)acetamide?
The InChIKey is ULBKPMKUJOOILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O2/c1-32-14-5-6-30-18(9-14)16(11-25-30)20-17(24)10-15-21(28-29-22(15)27-20)26-19(31)8-12-3-2-4-13(23)7-12/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-(3-fluorophenyl)acetamide?
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2-(3-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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 68559121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).