N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide

C20H16N6O3S2 — CID 23546903

IUPACN-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide
SMILESNc1nc(-c2ccco2)c2cnn(Cc3cccc(NS(=O)(=O)c4cccs4)c3)c2n1
InChIInChI=1S/C20H16N6O3S2/c21-20-23-18(16-6-2-8-29-16)15-11-22-26(19(15)24-20)12-13-4-1-5-14(10-13)25-31(27,28)17-7-3-9-30-17/h1-11,25H,12H2,(H2,21,23,24)
InChIKeySLSYBVKBUXSKIF-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.58
Rot. Bonds6

About N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide

N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide (PubChem CID 23546903) has the molecular formula C20H16N6O3S2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide
PubChem CID23546903
Molecular FormulaC20H16N6O3S2
Molecular Weight452.52 g/mol
Exact Mass452.07
IUPAC NameN-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide
SMILESNc1nc(-c2ccco2)c2cnn(Cc3cccc(NS(=O)(=O)c4cccs4)c3)c2n1
InChIInChI=1S/C20H16N6O3S2/c21-20-23-18(16-6-2-8-29-16)15-11-22-26(19(15)24-20)12-13-4-1-5-14(10-13)25-31(27,28)17-7-3-9-30-17/h1-11,25H,12H2,(H2,21,23,24)
InChIKeySLSYBVKBUXSKIF-UHFFFAOYSA-N
XLogP3.58
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazole-4-sulfonamide
CID 69053741
1-[[3-(3-(18F)fluoropropoxy)phenyl]methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 150629509
N-[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]-5-chloro-2-sulfanylbenzenesulfonamide
CID 90699493
1-[(2-chlorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015516
1-[(2-bromo-6-iodophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 142576116
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 22205934
4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile
CID 142576114
2-[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-pyridin-2-ylacetamide
CID 23546893
N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 51698921
methyl (E)-3-[3-[[6-amino-4-(5-methylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enoate
CID 169093595
N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 4776109
N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride
CID 155537094

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide (CID 23546903) is N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide is Nc1nc(-c2ccco2)c2cnn(Cc3cccc(NS(=O)(=O)c4cccs4)c3)c2n1.
What is the InChIKey of N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is SLSYBVKBUXSKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3S2/c21-20-23-18(16-6-2-8-29-16)15-11-22-26(19(15)24-20)12-13-4-1-5-14(10-13)25-31(27,28)17-7-3-9-30-17/h1-11,25H,12H2,(H2,21,23,24).
What are the key properties of N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide?
N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 452.52 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 23546903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).