7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C18H17F2N5 — CID 57129018

IUPAC7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(N2CN(c3cc(F)ccc3F)c3[nH]ncc3C2N)cc1
InChIInChI=1S/C18H17F2N5/c1-11-2-5-13(6-3-11)24-10-25(16-8-12(19)4-7-15(16)20)18-14(17(24)21)9-22-23-18/h2-9,17H,10,21H2,1H3,(H,22,23)
InChIKeyJRLWCNUTIGGQOR-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.57
Rot. Bonds2

About 7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine

7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 57129018) has the molecular formula C18H17F2N5 and a molecular weight of 341.37 g/mol. Its IUPAC name is 7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID57129018
Molecular FormulaC18H17F2N5
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(N2CN(c3cc(F)ccc3F)c3[nH]ncc3C2N)cc1
InChIInChI=1S/C18H17F2N5/c1-11-2-5-13(6-3-11)24-10-25(16-8-12(19)4-7-15(16)20)18-14(17(24)21)9-22-23-18/h2-9,17H,10,21H2,1H3,(H,22,23)
InChIKeyJRLWCNUTIGGQOR-UHFFFAOYSA-N
XLogP3.57
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 57129018) is 7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(N2CN(c3cc(F)ccc3F)c3[nH]ncc3C2N)cc1.
What is the InChIKey of 7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is JRLWCNUTIGGQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5/c1-11-2-5-13(6-3-11)24-10-25(16-8-12(19)4-7-15(16)20)18-14(17(24)21)9-22-23-18/h2-9,17H,10,21H2,1H3,(H,22,23).
What are the key properties of 7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 341.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-difluorophenyl)-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 57129018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).