N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C17H17FN4OS — CID 138027813

IUPACN-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1nc2n(n1)CC(C(=O)NCc1cc3cc(F)ccc3s1)CC2
InChIInChI=1S/C17H17FN4OS/c1-10-20-16-5-2-11(9-22(16)21-10)17(23)19-8-14-7-12-6-13(18)3-4-15(12)24-14/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,19,23)
InChIKeyUXUOQSITNRWKMR-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.82
Rot. Bonds3

About N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 138027813) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID138027813
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC NameN-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1nc2n(n1)CC(C(=O)NCc1cc3cc(F)ccc3s1)CC2
InChIInChI=1S/C17H17FN4OS/c1-10-20-16-5-2-11(9-22(16)21-10)17(23)19-8-14-7-12-6-13(18)3-4-15(12)24-14/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,19,23)
InChIKeyUXUOQSITNRWKMR-UHFFFAOYSA-N
XLogP2.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 136565162
N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 136563405
2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 138054424
1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[(2R)-1-hydroxy-4-methoxybutan-2-yl]urea
CID 124851471
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154571332
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 56704546
(6R)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95344650
1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 60562794
N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 136562716
(3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 42213070
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155913485
N-[(2,4-difluorophenyl)methyl]-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610569

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 138027813) is N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is Cc1nc2n(n1)CC(C(=O)NCc1cc3cc(F)ccc3s1)CC2.
What is the InChIKey of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is UXUOQSITNRWKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-10-20-16-5-2-11(9-22(16)21-10)17(23)19-8-14-7-12-6-13(18)3-4-15(12)24-14/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,19,23).
What are the key properties of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 138027813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).