1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

C26H24FN7O2 — CID 72721686

IUPAC1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccc(-n4nc(C(C)C)c5ncnc(N)c54)cc3)c2)cn1
InChIInChI=1S/C26H24FN7O2/c1-15(2)23-24-25(26(28)32-14-31-24)34(33-23)19-4-6-20(7-5-19)36-22-9-18(27)8-21(10-22)35-13-17-11-29-16(3)30-12-17/h4-12,14-15H,13H2,1-3H3,(H2,28,31,32)
InChIKeyKSNCJAFEUPOZPF-UHFFFAOYSA-N
MW485.52 g/mol
LogP5.13
Rot. Bonds7

About 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 72721686) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID72721686
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccc(-n4nc(C(C)C)c5ncnc(N)c54)cc3)c2)cn1
InChIInChI=1S/C26H24FN7O2/c1-15(2)23-24-25(26(28)32-14-31-24)34(33-23)19-4-6-20(7-5-19)36-22-9-18(27)8-21(10-22)35-13-17-11-29-16(3)30-12-17/h4-12,14-15H,13H2,1-3H3,(H2,28,31,32)
InChIKeyKSNCJAFEUPOZPF-UHFFFAOYSA-N
XLogP5.13
TPSA113.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
5-methyl-7-(3-phenoxyphenyl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11155941
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
4-{4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 661075
N-{2-Methoxy-4-[(1-Methylpiperidin-4-Yl)oxy]phenyl}-4-(1h-Pyrrolo[2,3-C]pyridin-3-Yl)pyrimidin-2-Amine
CID 91668530
N-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 119025603
3-[2-[4-[4-(2-Methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-8-pyridin-2-yl-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10118562
7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11189040
N-(4-{[2-(dimethylamino)ethyl]oxy}-phenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11372661
5-fluoro-1-(4-(3-(4-methylpiperazin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11655227
1-(4-(3-(3,5-dimethylpiperidin-1-yl)propoxy)phenyl)-5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 44580259
5-methyl-N-[4-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 44589729

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 72721686) is 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is Cc1ncc(COc2cc(F)cc(Oc3ccc(-n4nc(C(C)C)c5ncnc(N)c54)cc3)c2)cn1.
What is the InChIKey of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KSNCJAFEUPOZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-15(2)23-24-25(26(28)32-14-31-24)34(33-23)19-4-6-20(7-5-19)36-22-9-18(27)8-21(10-22)35-13-17-11-29-16(3)30-12-17/h4-12,14-15H,13H2,1-3H3,(H2,28,31,32).
What are the key properties of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 485.52 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 72721686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).