1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine

C16H14F2N8 — CID 156901334

IUPAC1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccn(-c2nc(N)nc3c2cnn3Cc2c(F)cc(N)cc2F)n1
InChIInChI=1S/C16H14F2N8/c1-8-2-3-25(24-8)14-10-6-21-26(15(10)23-16(20)22-14)7-11-12(17)4-9(19)5-13(11)18/h2-6H,7,19H2,1H3,(H2,20,22,23)
InChIKeyFVTHLSKYXYUFLP-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.81
Rot. Bonds3

About 1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine

1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 156901334) has the molecular formula C16H14F2N8 and a molecular weight of 356.34 g/mol. Its IUPAC name is 1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID156901334
Molecular FormulaC16H14F2N8
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccn(-c2nc(N)nc3c2cnn3Cc2c(F)cc(N)cc2F)n1
InChIInChI=1S/C16H14F2N8/c1-8-2-3-25(24-8)14-10-6-21-26(15(10)23-16(20)22-14)7-11-12(17)4-9(19)5-13(11)18/h2-6H,7,19H2,1H3,(H2,20,22,23)
InChIKeyFVTHLSKYXYUFLP-UHFFFAOYSA-N
XLogP1.81
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine (CID 156901334) is 1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine is Cc1ccn(-c2nc(N)nc3c2cnn3Cc2c(F)cc(N)cc2F)n1.
What is the InChIKey of 1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is FVTHLSKYXYUFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N8/c1-8-2-3-25(24-8)14-10-6-21-26(15(10)23-16(20)22-14)7-11-12(17)4-9(19)5-13(11)18/h2-6H,7,19H2,1H3,(H2,20,22,23).
What are the key properties of 1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 356.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 156901334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).