N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide

C17H21N3OS — CID 155492420

IUPACN-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESO=C(NCc1csc2c1CCCC2)C1CCn2nccc2C1
InChIInChI=1S/C17H21N3OS/c21-17(12-6-8-20-14(9-12)5-7-19-20)18-10-13-11-22-16-4-2-1-3-15(13)16/h5,7,11-12H,1-4,6,8-10H2,(H,18,21)
InChIKeyWLDFNLNPODODFT-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.70
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide

N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 155492420) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID155492420
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESO=C(NCc1csc2c1CCCC2)C1CCn2nccc2C1
InChIInChI=1S/C17H21N3OS/c21-17(12-6-8-20-14(9-12)5-7-19-20)18-10-13-11-22-16-4-2-1-3-15(13)16/h5,7,11-12H,1-4,6,8-10H2,(H,18,21)
InChIKeyWLDFNLNPODODFT-UHFFFAOYSA-N
XLogP2.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 154816315
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 154567112
5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 74245818
3-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 122563608
N-(2,3-dimethyl-5-phenylimidazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 162635043
ethane;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 91002841
5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146046787
5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol
CID 175613001
2-cyclopentylsulfanyl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 124892185
2-phenyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-4-carboxamide
CID 124759639
N-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 112522406
(7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97325838

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide (CID 155492420) is N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide is O=C(NCc1csc2c1CCCC2)C1CCn2nccc2C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is WLDFNLNPODODFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-17(12-6-8-20-14(9-12)5-7-19-20)18-10-13-11-22-16-4-2-1-3-15(13)16/h5,7,11-12H,1-4,6,8-10H2,(H,18,21).
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 155492420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).