4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile

C17H11FN6O — CID 142576114

IUPAC4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c(F)c1
InChIInChI=1S/C17H11FN6O/c18-13-6-10(7-19)3-4-11(13)9-24-16-12(8-21-24)15(22-17(20)23-16)14-2-1-5-25-14/h1-6,8H,9H2,(H2,20,22,23)
InChIKeyFCGXNJLKXOWWTB-UHFFFAOYSA-N
MW334.31 g/mol
LogP2.73
Rot. Bonds3

About 4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile

4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile (PubChem CID 142576114) has the molecular formula C17H11FN6O and a molecular weight of 334.31 g/mol. Its IUPAC name is 4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile
PubChem CID142576114
Molecular FormulaC17H11FN6O
Molecular Weight334.31 g/mol
Exact Mass334.10
IUPAC Name4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c(F)c1
InChIInChI=1S/C17H11FN6O/c18-13-6-10(7-19)3-4-11(13)9-24-16-12(8-21-24)15(22-17(20)23-16)14-2-1-5-25-14/h1-6,8H,9H2,(H2,20,22,23)
InChIKeyFCGXNJLKXOWWTB-UHFFFAOYSA-N
XLogP2.73
TPSA106.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015516
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-[[3-(3-(18F)fluoropropoxy)phenyl]methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 150629509
N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide
CID 23546903
3-[[2-amino-6-(furan-2-yl)purin-9-yl]methyl]benzonitrile
CID 59835103
2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide
CID 23546893
N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazole-4-sulfonamide
CID 69053741
3-fluoro-4-[(6-piperazin-1-ylpyrazolo[5,4-b]pyridin-1-yl)methyl]benzonitrile
CID 162737679
3-[(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methyl]benzonitrile
CID 134479952
4-[(3-amino-5-methylpyrazol-1-yl)methyl]-3-fluorobenzonitrile
CID 114253283
3-fluoro-4-[(4-iodo-6-oxopyridazin-1-yl)methyl]benzonitrile
CID 114553603

Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile (CID 142576114) is 4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile is N#Cc1ccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c(F)c1.
What is the InChIKey of 4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile?
The InChIKey is FCGXNJLKXOWWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6O/c18-13-6-10(7-19)3-4-11(13)9-24-16-12(8-21-24)15(22-17(20)23-16)14-2-1-5-25-14/h1-6,8H,9H2,(H2,20,22,23).
What are the key properties of 4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile?
4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile has a molecular weight of 334.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile is sourced from PubChem (CID 142576114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).