N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide

C11H11N7OS — CID 141212772

IUPACN-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide
SMILESCS(=O)Nc1ccc(Nc2ncc3cn[nH]c3n2)cn1
InChIInChI=1S/C11H11N7OS/c1-20(19)18-9-3-2-8(6-12-9)15-11-13-4-7-5-14-17-10(7)16-11/h2-6H,1H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyFMRZMOULQJVRIK-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.20
Rot. Bonds4

About N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide

N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide (PubChem CID 141212772) has the molecular formula C11H11N7OS and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide.

Molecular Properties

Compound NameN-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide
PubChem CID141212772
Molecular FormulaC11H11N7OS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC NameN-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide
SMILESCS(=O)Nc1ccc(Nc2ncc3cn[nH]c3n2)cn1
InChIInChI=1S/C11H11N7OS/c1-20(19)18-9-3-2-8(6-12-9)15-11-13-4-7-5-14-17-10(7)16-11/h2-6H,1H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyFMRZMOULQJVRIK-UHFFFAOYSA-N
XLogP1.20
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide?
The IUPAC name of N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide (CID 141212772) is N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide.
What is the SMILES notation for N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide?
The canonical SMILES for N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide is CS(=O)Nc1ccc(Nc2ncc3cn[nH]c3n2)cn1.
What is the InChIKey of N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide?
The InChIKey is FMRZMOULQJVRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7OS/c1-20(19)18-9-3-2-8(6-12-9)15-11-13-4-7-5-14-17-10(7)16-11/h2-6H,1H3,(H,12,18)(H2,13,14,15,16,17).
What are the key properties of N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide?
N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide has a molecular weight of 289.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide is sourced from PubChem (CID 141212772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).