N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

C20H21F2N5OS — CID 144637763

IUPACN-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESCC(F)(F)c1ccc(CNC(=O)C2CCN(c3ccnc4nsnc34)CC2)cc1
InChIInChI=1S/C20H21F2N5OS/c1-20(21,22)15-4-2-13(3-5-15)12-24-19(28)14-7-10-27(11-8-14)16-6-9-23-18-17(16)25-29-26-18/h2-6,9,14H,7-8,10-12H2,1H3,(H,24,28)
InChIKeyFLHBDSXOJJQVPJ-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.73
Rot. Bonds5

About N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (PubChem CID 144637763) has the molecular formula C20H21F2N5OS and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
PubChem CID144637763
Molecular FormulaC20H21F2N5OS
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESCC(F)(F)c1ccc(CNC(=O)C2CCN(c3ccnc4nsnc34)CC2)cc1
InChIInChI=1S/C20H21F2N5OS/c1-20(21,22)15-4-2-13(3-5-15)12-24-19(28)14-7-10-27(11-8-14)16-6-9-23-18-17(16)25-29-26-18/h2-6,9,14H,7-8,10-12H2,1H3,(H,24,28)
InChIKeyFLHBDSXOJJQVPJ-UHFFFAOYSA-N
XLogP3.73
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
CID 123740808
N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
CID 123200584
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133318641
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133356392
N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
CID 144637743
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 133341503
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356339
1-(6-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356365
N-[(3-fluoro-4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133317132

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (CID 144637763) is N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is CC(F)(F)c1ccc(CNC(=O)C2CCN(c3ccnc4nsnc34)CC2)cc1.
What is the InChIKey of N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The InChIKey is FLHBDSXOJJQVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5OS/c1-20(21,22)15-4-2-13(3-5-15)12-24-19(28)14-7-10-27(11-8-14)16-6-9-23-18-17(16)25-29-26-18/h2-6,9,14H,7-8,10-12H2,1H3,(H,24,28).
What are the key properties of N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 144637763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).