N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C20H23N5OS — CID 53203533

IUPACN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCN(c2nnc3ccccn23)CC1)c1cc2c(s1)CCCC2
InChIInChI=1S/C20H23N5OS/c26-19(17-13-14-5-1-2-6-16(14)27-17)21-15-8-11-24(12-9-15)20-23-22-18-7-3-4-10-25(18)20/h3-4,7,10,13,15H,1-2,5-6,8-9,11-12H2,(H,21,26)
InChIKeyWRDSSZPIXSWCRW-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.07
Rot. Bonds3

About N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 53203533) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID53203533
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCN(c2nnc3ccccn23)CC1)c1cc2c(s1)CCCC2
InChIInChI=1S/C20H23N5OS/c26-19(17-13-14-5-1-2-6-16(14)27-17)21-15-8-11-24(12-9-15)20-23-22-18-7-3-4-10-25(18)20/h3-4,7,10,13,15H,1-2,5-6,8-9,11-12H2,(H,21,26)
InChIKeyWRDSSZPIXSWCRW-UHFFFAOYSA-N
XLogP3.07
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
N-(4-oxocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43652917
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 55339840
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 16589845
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 55690908
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 126779994
N-[1-(furan-3-carbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 38212637
N-(1-ethylsulfonylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 31835472
3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031724
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 56568813
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 53203526
cis-(1R,3S)-3-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 120678419

Frequently Asked Questions

What is the IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 53203533) is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is O=C(NC1CCN(c2nnc3ccccn23)CC1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is WRDSSZPIXSWCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c26-19(17-13-14-5-1-2-6-16(14)27-17)21-15-8-11-24(12-9-15)20-23-22-18-7-3-4-10-25(18)20/h3-4,7,10,13,15H,1-2,5-6,8-9,11-12H2,(H,21,26).
What are the key properties of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 53203533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).