N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C24H27FN8O2 — CID 11525836

IUPACN-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(Oc2ccc(Nc3ncnc4[nH]nc(OCCN5CCN(C)CC5)c34)cc2F)cn1
InChIInChI=1S/C24H27FN8O2/c1-16-3-5-18(14-26-16)35-20-6-4-17(13-19(20)25)29-22-21-23(28-15-27-22)30-31-24(21)34-12-11-33-9-7-32(2)8-10-33/h3-6,13-15H,7-12H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyFZQPWQLURSOWBV-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.36
Rot. Bonds8

About N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11525836) has the molecular formula C24H27FN8O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11525836
Molecular FormulaC24H27FN8O2
Molecular Weight478.53 g/mol
Exact Mass478.22
IUPAC NameN-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(Oc2ccc(Nc3ncnc4[nH]nc(OCCN5CCN(C)CC5)c34)cc2F)cn1
InChIInChI=1S/C24H27FN8O2/c1-16-3-5-18(14-26-16)35-20-6-4-17(13-19(20)25)29-22-21-23(28-15-27-22)30-31-24(21)34-12-11-33-9-7-32(2)8-10-33/h3-6,13-15H,7-12H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyFZQPWQLURSOWBV-UHFFFAOYSA-N
XLogP3.36
TPSA104.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol
CID 67020615
3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11525759
3-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 67020626
(2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol
CID 69474064
1-[4-[3-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]propyl]piperazin-1-yl]ethanone
CID 11685247
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine
CID 58140046
6-chloro-5-methyl-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 59453247
6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
CID 82889348
[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl] propanoate
CID 90891540
1-[(2S)-2-[[4-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 69025146
[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 62074951
N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5-[2-[methyl(prop-1-en-2-yl)amino]ethoxy]quinazolin-4-amine
CID 143054061

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11525836) is N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(Oc2ccc(Nc3ncnc4[nH]nc(OCCN5CCN(C)CC5)c34)cc2F)cn1.
What is the InChIKey of N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is FZQPWQLURSOWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O2/c1-16-3-5-18(14-26-16)35-20-6-4-17(13-19(20)25)29-22-21-23(28-15-27-22)30-31-24(21)34-12-11-33-9-7-32(2)8-10-33/h3-6,13-15H,7-12H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 478.53 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11525836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).