1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine

C17H12F2N6 — CID 172684570

IUPAC1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2cccnc2)c2cnn(Cc3c(F)cccc3F)c2n1
InChIInChI=1S/C17H12F2N6/c18-13-4-1-5-14(19)12(13)9-25-16-11(8-22-25)15(23-17(20)24-16)10-3-2-6-21-7-10/h1-8H,9H2,(H2,20,23,24)
InChIKeyAVZUJQNMDNCOLD-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.80
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine

1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 172684570) has the molecular formula C17H12F2N6 and a molecular weight of 338.32 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID172684570
Molecular FormulaC17H12F2N6
Molecular Weight338.32 g/mol
Exact Mass338.11
IUPAC Name1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2cccnc2)c2cnn(Cc3c(F)cccc3F)c2n1
InChIInChI=1S/C17H12F2N6/c18-13-4-1-5-14(19)12(13)9-25-16-11(8-22-25)15(23-17(20)24-16)10-3-2-6-21-7-10/h1-8H,9H2,(H2,20,23,24)
InChIKeyAVZUJQNMDNCOLD-UHFFFAOYSA-N
XLogP2.80
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-amino-2,6-difluorophenyl)methyl]-4-phenylpyrazolo[3,4-d]pyrimidin-6-amine
CID 172686661
1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 156901336
5-[6-amino-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,3-dicarbonitrile
CID 177211539
1-[(2-bromo-6-iodophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 142576116
1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320276
2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol
CID 141176999
1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 156901334
(2-fluoro-6-pyridin-3-ylphenyl)methanol
CID 46315600
1-[(2,6-difluoro-4-nitrophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidin-6-amine;ethane
CID 156742416
1-[(4-amino-2-fluorophenyl)methyl]-4-(3-phenylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 156901329
4-phenylpyrido[3,4-d]pyrimidin-2-amine
CID 122439857
N-methylmethanamine;5-propoxy-4-pyridin-3-ylquinazolin-2-amine
CID 122510175

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine (CID 172684570) is 1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(-c2cccnc2)c2cnn(Cc3c(F)cccc3F)c2n1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is AVZUJQNMDNCOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6/c18-13-4-1-5-14(19)12(13)9-25-16-11(8-22-25)15(23-17(20)24-16)10-3-2-6-21-7-10/h1-8H,9H2,(H2,20,23,24).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine?
1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 338.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 172684570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).