1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide

C15H20F2N4O2S — CID 71117198

IUPAC1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide
SMILESCN1c2nc(C3CCCNC3)ccc2N(CC2CC2(F)F)S1(=O)=O
InChIInChI=1S/C15H20F2N4O2S/c1-20-14-13(5-4-12(19-14)10-3-2-6-18-8-10)21(24(20,22)23)9-11-7-15(11,16)17/h4-5,10-11,18H,2-3,6-9H2,1H3
InChIKeyHOHKQQOZBQXJFV-UHFFFAOYSA-N
MW358.41 g/mol
LogP1.70
Rot. Bonds3

About 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide

1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide (PubChem CID 71117198) has the molecular formula C15H20F2N4O2S and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide
PubChem CID71117198
Molecular FormulaC15H20F2N4O2S
Molecular Weight358.41 g/mol
Exact Mass358.13
IUPAC Name1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide
SMILESCN1c2nc(C3CCCNC3)ccc2N(CC2CC2(F)F)S1(=O)=O
InChIInChI=1S/C15H20F2N4O2S/c1-20-14-13(5-4-12(19-14)10-3-2-6-18-8-10)21(24(20,22)23)9-11-7-15(11,16)17/h4-5,10-11,18H,2-3,6-9H2,1H3
InChIKeyHOHKQQOZBQXJFV-UHFFFAOYSA-N
XLogP1.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide (CID 71117198) is 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide is CN1c2nc(C3CCCNC3)ccc2N(CC2CC2(F)F)S1(=O)=O.
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide?
The InChIKey is HOHKQQOZBQXJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O2S/c1-20-14-13(5-4-12(19-14)10-3-2-6-18-8-10)21(24(20,22)23)9-11-7-15(11,16)17/h4-5,10-11,18H,2-3,6-9H2,1H3.
What are the key properties of 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide?
1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide has a molecular weight of 358.41 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-piperidin-3-yl-[1,2,5]thiadiazolo[3,4-b]pyridine 2,2-dioxide is sourced from PubChem (CID 71117198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).