2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide

C15H24N4OS — CID 165403084

IUPAC2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide
SMILESCCCn1cc2cc([C@@H](C)NS(=O)C(C)(C)C)ncc2n1
InChIInChI=1S/C15H24N4OS/c1-6-7-19-10-12-8-13(16-9-14(12)17-19)11(2)18-21(20)15(3,4)5/h8-11,18H,6-7H2,1-5H3/t11-,21?/m1/s1
InChIKeyIPFHXALRYAFKAA-ZIFPNCEFSA-N
MW308.45 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide

2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide (PubChem CID 165403084) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide
PubChem CID165403084
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide
SMILESCCCn1cc2cc([C@@H](C)NS(=O)C(C)(C)C)ncc2n1
InChIInChI=1S/C15H24N4OS/c1-6-7-19-10-12-8-13(16-9-14(12)17-19)11(2)18-21(20)15(3,4)5/h8-11,18H,6-7H2,1-5H3/t11-,21?/m1/s1
InChIKeyIPFHXALRYAFKAA-ZIFPNCEFSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide (CID 165403084) is 2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide is CCCn1cc2cc([C@@H](C)NS(=O)C(C)(C)C)ncc2n1.
What is the InChIKey of 2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide?
The InChIKey is IPFHXALRYAFKAA-ZIFPNCEFSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-6-7-19-10-12-8-13(16-9-14(12)17-19)11(2)18-21(20)15(3,4)5/h8-11,18H,6-7H2,1-5H3/t11-,21?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide?
2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide has a molecular weight of 308.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(2-propylpyrazolo[3,4-c]pyridin-5-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 165403084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).