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

C16H13F2N7 — CID 156901336

IUPAC1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccn(-c2nc(N)nc3c2cnn3Cc2c(F)cccc2F)n1
InChIInChI=1S/C16H13F2N7/c1-9-5-6-24(23-9)14-10-7-20-25(15(10)22-16(19)21-14)8-11-12(17)3-2-4-13(11)18/h2-7H,8H2,1H3,(H2,19,21,22)
InChIKeyFNBALJVMNUGYPB-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.23
Rot. Bonds3

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

1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 156901336) has the molecular formula C16H13F2N7 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID156901336
Molecular FormulaC16H13F2N7
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Name1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccn(-c2nc(N)nc3c2cnn3Cc2c(F)cccc2F)n1
InChIInChI=1S/C16H13F2N7/c1-9-5-6-24(23-9)14-10-7-20-25(15(10)22-16(19)21-14)8-11-12(17)3-2-4-13(11)18/h2-7H,8H2,1H3,(H2,19,21,22)
InChIKeyFNBALJVMNUGYPB-UHFFFAOYSA-N
XLogP2.23
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 156901334
3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol
CID 156901275
1-[(4-amino-2-fluorophenyl)methyl]-4-(3-phenylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 156901329
1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 172684570
1-[(4-amino-2,6-difluorophenyl)methyl]-4-phenylpyrazolo[3,4-d]pyrimidin-6-amine
CID 172686661
6-methyl-4-(3-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331102
1-[(2,6-difluoro-4-nitrophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidin-6-amine;ethane
CID 156742416
1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320276
2-fluoro-6-(3-methylpyrazol-1-yl)aniline
CID 62494293
9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine
CID 54053692
1-[(2,6-dichlorophenyl)methyl]-6-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171308
1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine
CID 114934340

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine (CID 156901336) is 1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine is Cc1ccn(-c2nc(N)nc3c2cnn3Cc2c(F)cccc2F)n1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is FNBALJVMNUGYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N7/c1-9-5-6-24(23-9)14-10-7-20-25(15(10)22-16(19)21-14)8-11-12(17)3-2-4-13(11)18/h2-7H,8H2,1H3,(H2,19,21,22).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 341.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 156901336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).