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

C22H27FN8O — CID 59528066

IUPAC5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(N(C)CCN5CCN(C)CC5)c4cc3F)c2c1
InChIInChI=1S/C22H27FN8O/c1-28-6-9-30(10-7-28)11-8-29(2)22-16-13-18(23)20(25-21(16)26-27-22)17-14-24-31-5-4-15(32-3)12-19(17)31/h4-5,12-14H,6-11H2,1-3H3,(H,25,26,27)
InChIKeyKYRQPPMKFQIRJF-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.10
Rot. Bonds6

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

5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 59528066) has the molecular formula C22H27FN8O and a molecular weight of 438.51 g/mol. Its IUPAC name is 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-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-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID59528066
Molecular FormulaC22H27FN8O
Molecular Weight438.51 g/mol
Exact Mass438.23
IUPAC Name5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(N(C)CCN5CCN(C)CC5)c4cc3F)c2c1
InChIInChI=1S/C22H27FN8O/c1-28-6-9-30(10-7-28)11-8-29(2)22-16-13-18(23)20(25-21(16)26-27-22)17-14-24-31-5-4-15(32-3)12-19(17)31/h4-5,12-14H,6-11H2,1-3H3,(H,25,26,27)
InChIKeyKYRQPPMKFQIRJF-UHFFFAOYSA-N
XLogP2.10
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
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
5-fluoro-2-(2-hydroxyethylamino)-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)pyridine-3-carboximidamide
CID 143779921
N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1-propylpyrazolo[3,4-b]pyridin-3-yl]benzamide
CID 70259320
2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol
CID 71242933
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
1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 60924375
3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide
CID 168930901
3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 145043946
acetylene;3-(2-fluoro-5-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 145044013
5-fluoro-6-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrazolo[3,4-b]pyridine
CID 59528106
N-[2-(dimethylamino)ethyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 162249967

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-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-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine (CID 59528066) is 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-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-(4-methylpiperazin-1-yl)ethyl]-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-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine is COc1ccn2ncc(-c3nc4[nH]nc(N(C)CCN5CCN(C)CC5)c4cc3F)c2c1.
What is the InChIKey of 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is KYRQPPMKFQIRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN8O/c1-28-6-9-30(10-7-28)11-8-29(2)22-16-13-18(23)20(25-21(16)26-27-22)17-14-24-31-5-4-15(32-3)12-19(17)31/h4-5,12-14H,6-11H2,1-3H3,(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-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine?
5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 438.51 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 59528066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).