(R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide

C12H16N4OS — CID 172783759

IUPAC(R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide
SMILESCn1ncc2cc(C=N[S@](=O)C(C)(C)C)cnc21
InChIInChI=1S/C12H16N4OS/c1-12(2,3)18(17)15-7-9-5-10-8-14-16(4)11(10)13-6-9/h5-8H,1-4H3/t18-/m1/s1
InChIKeyOPLOYIJESWKXNK-GOSISDBHSA-N
MW264.35 g/mol
LogP1.85
Rot. Bonds2

About (R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide

(R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide (PubChem CID 172783759) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide
PubChem CID172783759
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name(R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide
SMILESCn1ncc2cc(C=N[S@](=O)C(C)(C)C)cnc21
InChIInChI=1S/C12H16N4OS/c1-12(2,3)18(17)15-7-9-5-10-8-14-16(4)11(10)13-6-9/h5-8H,1-4H3/t18-/m1/s1
InChIKeyOPLOYIJESWKXNK-GOSISDBHSA-N
XLogP1.85
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide (CID 172783759) is (R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide is Cn1ncc2cc(C=N[S@](=O)C(C)(C)C)cnc21.
What is the InChIKey of (R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide?
The InChIKey is OPLOYIJESWKXNK-GOSISDBHSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-12(2,3)18(17)15-7-9-5-10-8-14-16(4)11(10)13-6-9/h5-8H,1-4H3/t18-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide?
(R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide has a molecular weight of 264.35 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 172783759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).