5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide

C16H15N7OS2 — CID 156555028

IUPAC5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide
SMILESCn1ncc2c(NCc3ccc(S(N)=O)s3)nc(-c3ccccn3)nc21
InChIInChI=1S/C16H15N7OS2/c1-23-16-11(9-20-23)14(19-8-10-5-6-13(25-10)26(17)24)21-15(22-16)12-4-2-3-7-18-12/h2-7,9H,8,17H2,1H3,(H,19,21,22)
InChIKeyFMXHJMVTFGWYOT-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.08
Rot. Bonds5

About 5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide

5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide (PubChem CID 156555028) has the molecular formula C16H15N7OS2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide.

Molecular Properties

Compound Name5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide
PubChem CID156555028
Molecular FormulaC16H15N7OS2
Molecular Weight385.48 g/mol
Exact Mass385.08
IUPAC Name5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide
SMILESCn1ncc2c(NCc3ccc(S(N)=O)s3)nc(-c3ccccn3)nc21
InChIInChI=1S/C16H15N7OS2/c1-23-16-11(9-20-23)14(19-8-10-5-6-13(25-10)26(17)24)21-15(22-16)12-4-2-3-7-18-12/h2-7,9H,8,17H2,1H3,(H,19,21,22)
InChIKeyFMXHJMVTFGWYOT-UHFFFAOYSA-N
XLogP2.08
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide with MolForge

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Related Compounds

1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56916981
1-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95729684
1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95726742
5-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfonamide
CID 25315799
1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081
1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56882874
4-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonic acid
CID 175315839
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839
4-N-benzyl-1-methyl-6-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7216335
N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 8547141
N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221339
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18686800

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide?
The IUPAC name of 5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide (CID 156555028) is 5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide.
What is the SMILES notation for 5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide?
The canonical SMILES for 5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide is Cn1ncc2c(NCc3ccc(S(N)=O)s3)nc(-c3ccccn3)nc21.
What is the InChIKey of 5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide?
The InChIKey is FMXHJMVTFGWYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS2/c1-23-16-11(9-20-23)14(19-8-10-5-6-13(25-10)26(17)24)21-15(22-16)12-4-2-3-7-18-12/h2-7,9H,8,17H2,1H3,(H,19,21,22).
What are the key properties of 5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide?
5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide has a molecular weight of 385.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide is sourced from PubChem (CID 156555028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).