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

C17H17FN6O — CID 135911763

IUPAC3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(F)c2[nH]c(-c3nn(C(C)C)c4ncnc(N)c34)cc2c1
InChIInChI=1S/C17H17FN6O/c1-8(2)24-17-13(16(19)20-7-21-17)15(23-24)12-5-9-4-10(25-3)6-11(18)14(9)22-12/h4-8,22H,1-3H3,(H2,19,20,21)
InChIKeyVYRPJOQRNZMEEG-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.29
Rot. Bonds3

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

3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 135911763) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID135911763
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(F)c2[nH]c(-c3nn(C(C)C)c4ncnc(N)c34)cc2c1
InChIInChI=1S/C17H17FN6O/c1-8(2)24-17-13(16(19)20-7-21-17)15(23-24)12-5-9-4-10(25-3)6-11(18)14(9)22-12/h4-8,22H,1-3H3,(H2,19,20,21)
InChIKeyVYRPJOQRNZMEEG-UHFFFAOYSA-N
XLogP3.29
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Acrizanib
CID 59394698
Torkinib
CID 135565635
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-(propoxyimino)methyl]pyrimidin-4-amine
CID 23646053
5-[(1E)-(butoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646054
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-[(prop-2-en-1-yloxy)imino]methyl]pyrimidin-4-amine
CID 23646055
5-[(1E)-[(benzyloxy)imino]methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646058
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(pyrrolidin-1-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646061
5-[(1E)-{[3-(dimethylamino)propoxy]imino}methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646063
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-[(2-methoxyethoxy)imino]methyl]pyrimidin-4-amine
CID 23646064
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-[(3-methoxypropoxy)imino]methyl]pyrimidin-4-amine
CID 23646065

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 135911763) is 3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(F)c2[nH]c(-c3nn(C(C)C)c4ncnc(N)c34)cc2c1.
What is the InChIKey of 3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VYRPJOQRNZMEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-8(2)24-17-13(16(19)20-7-21-17)15(23-24)12-5-9-4-10(25-3)6-11(18)14(9)22-12/h4-8,22H,1-3H3,(H2,19,20,21).
What are the key properties of 3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 340.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135911763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).