6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C12H9ClFN5O — CID 114840488

IUPAC6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2nc(Cl)nc3[nH]ncc23)ccc1F
InChIInChI=1S/C12H9ClFN5O/c1-20-9-4-6(2-3-8(9)14)16-10-7-5-15-19-11(7)18-12(13)17-10/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyYXUODFTYWMGHNT-UHFFFAOYSA-N
MW293.69 g/mol
LogP2.90
Rot. Bonds3

About 6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 114840488) has the molecular formula C12H9ClFN5O and a molecular weight of 293.69 g/mol. Its IUPAC name is 6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID114840488
Molecular FormulaC12H9ClFN5O
Molecular Weight293.69 g/mol
Exact Mass293.05
IUPAC Name6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2nc(Cl)nc3[nH]ncc23)ccc1F
InChIInChI=1S/C12H9ClFN5O/c1-20-9-4-6(2-3-8(9)14)16-10-7-5-15-19-11(7)18-12(13)17-10/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyYXUODFTYWMGHNT-UHFFFAOYSA-N
XLogP2.90
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 114840488) is 6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1cc(Nc2nc(Cl)nc3[nH]ncc23)ccc1F.
What is the InChIKey of 6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is YXUODFTYWMGHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN5O/c1-20-9-4-6(2-3-8(9)14)16-10-7-5-15-19-11(7)18-12(13)17-10/h2-5H,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 293.69 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 114840488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).