5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C16H22N4OS — CID 154753434

IUPAC5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)CC1CCn2ncc(C(=O)NCc3cccs3)c2C1
InChIInChI=1S/C16H22N4OS/c1-19(2)11-12-5-6-20-15(8-12)14(10-18-20)16(21)17-9-13-4-3-7-22-13/h3-4,7,10,12H,5-6,8-9,11H2,1-2H3,(H,17,21)
InChIKeyOLCDDXSUSWBMCQ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.00
Rot. Bonds5

About 5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 154753434) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID154753434
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)CC1CCn2ncc(C(=O)NCc3cccs3)c2C1
InChIInChI=1S/C16H22N4OS/c1-19(2)11-12-5-6-20-15(8-12)14(10-18-20)16(21)17-9-13-4-3-7-22-13/h3-4,7,10,12H,5-6,8-9,11H2,1-2H3,(H,17,21)
InChIKeyOLCDDXSUSWBMCQ-UHFFFAOYSA-N
XLogP2.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

(5R)-5-[(dimethylamino)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129489449
2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 53299092
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124571438
6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1448003
3-cyano-N-[[(5R)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]thiophene-2-carboxamide
CID 129323919
3-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90568260
N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16886515
5-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 155965417
N-(thiophen-2-ylmethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919339
N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128970072
1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909165
1-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3242699

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 154753434) is 5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CN(C)CC1CCn2ncc(C(=O)NCc3cccs3)c2C1.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is OLCDDXSUSWBMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-19(2)11-12-5-6-20-15(8-12)14(10-18-20)16(21)17-9-13-4-3-7-22-13/h3-4,7,10,12H,5-6,8-9,11H2,1-2H3,(H,17,21).
What are the key properties of 5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 154753434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).