6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C20H27N5O2S — CID 166623423

IUPAC6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2n[nH]c3c2CCN(C(=O)CC2CCCC2)C3)n1
InChIInChI=1S/C20H27N5O2S/c1-2-14-12-28-17(22-14)10-21-20(27)19-15-7-8-25(11-16(15)23-24-19)18(26)9-13-5-3-4-6-13/h12-13H,2-11H2,1H3,(H,21,27)(H,23,24)
InChIKeyGIEKRGHGSCUCHW-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.82
Rot. Bonds6

About 6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166623423) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166623423
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2n[nH]c3c2CCN(C(=O)CC2CCCC2)C3)n1
InChIInChI=1S/C20H27N5O2S/c1-2-14-12-28-17(22-14)10-21-20(27)19-15-7-8-25(11-16(15)23-24-19)18(26)9-13-5-3-4-6-13/h12-13H,2-11H2,1H3,(H,21,27)(H,23,24)
InChIKeyGIEKRGHGSCUCHW-UHFFFAOYSA-N
XLogP2.82
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate
CID 166618223
5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74245673
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 95230442
N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 72903585
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112841611
5-(2-methoxyacetyl)-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42876698
formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171322695
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(2-pyridin-4-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166614160
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone
CID 50954190
N-[[2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149358
1-benzyl-5-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26213803
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 45209965

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166623423) is 6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is CCc1csc(CNC(=O)c2n[nH]c3c2CCN(C(=O)CC2CCCC2)C3)n1.
What is the InChIKey of 6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is GIEKRGHGSCUCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-2-14-12-28-17(22-14)10-21-20(27)19-15-7-8-25(11-16(15)23-24-19)18(26)9-13-5-3-4-6-13/h12-13H,2-11H2,1H3,(H,21,27)(H,23,24).
What are the key properties of 6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166623423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).